data_2ror_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 2ror _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' SER . 7.8 t70 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 62' ' ' PHE . 28.4 mt -41.05 -26.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.7 m -45.27 -44.12 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 m -42.83 -37.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.483 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 97.3 m-70 -73.56 150.61 41.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.13 -5.75 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.581 ' CZ3' HG23 ' A' ' 52' ' ' VAL . 18.5 p-90 -134.75 127.82 31.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -148.98 145.5 27.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.76 111.02 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.52 -148.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.551 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.81 4.54 2.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.9 ttp -32.28 142.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.25 179.73 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 20.1 tpp85 -52.3 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -42.51 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.13 -37.67 81.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.33 -47.61 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ALA . 34.2 mt-10 -51.21 -57.0 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -49.12 -41.95 37.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CD1' ' HE3' ' A' ' 33' ' ' MET . 15.9 mt -61.33 -51.7 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 3.3 mt -82.29 -5.47 58.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -91.36 -42.8 10.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -79.31 -37.41 37.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.24 -176.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 m -68.21 153.44 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 115.34 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.45 7.37 9.96 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.448 HG21 ' N ' ' A' ' 50' ' ' PHE . 27.9 m -69.51 157.98 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.18 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CG ' HD21 ' A' ' 118' ' ' LEU . 17.6 p90 -152.44 172.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -169.86 176.93 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.581 HG23 ' CZ3' ' A' ' 28' ' ' TRP . 2.6 t -122.26 114.77 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' ALA . 10.4 ptt85 -116.31 154.94 29.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.476 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 19.8 tt0 -108.11 152.38 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.476 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 27.5 ttt180 -93.97 165.21 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.69 -37.75 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -44.67 -57.46 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.09 114.11 16.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.12 -46.47 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.91 63.16 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.11 124.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CE1' HD13 ' A' ' 23' ' ' LEU . 40.7 m-85 -116.71 164.53 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -150.75 137.71 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.417 HG13 ' CD1' ' A' ' 77' ' ' ILE . 51.7 mt -102.04 111.41 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -107.3 118.96 38.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -129.83 143.14 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 15.4 tptm -87.9 127.32 35.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -166.06 144.77 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.507 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 64.93 49.46 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.7 m 48.25 25.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -153.84 148.0 25.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.4 t -90.31 121.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 18.9 mmtp -101.48 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.6 m-70 -143.12 152.61 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.486 HD13 ' CD2' ' A' ' 111' ' ' PHE . 23.1 mt -134.42 141.67 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -92.81 117.7 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.417 ' CD1' HG13 ' A' ' 64' ' ' ILE . 69.0 mt -93.79 136.25 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 mtt -94.05 169.5 10.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 p -147.33 116.12 6.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.74 113.38 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 43.33 47.84 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.07 23.5 55.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 19.2 mt -104.68 -179.35 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 15.7 m-85 -155.54 123.38 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.1 143.19 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.535 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 2.7 pp -108.58 -11.39 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.469 ' CG2' HD11 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -129.81 166.2 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.56 -32.8 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -74.63 -47.76 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -94.7 150.34 20.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.462 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.67 137.28 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 92' ' ' PHE . 1.1 m-85 -116.53 173.62 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 6.7 ppt_? -104.14 -32.77 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.426 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -134.75 153.28 21.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.6 tp -61.76 -46.36 89.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.483 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 39.2 m -52.15 -49.39 63.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -58.64 -46.7 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.5 tt -55.87 -32.49 63.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.433 HG13 ' CE2' ' A' ' 28' ' ' TRP . 96.1 t -81.79 -53.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.22 -5.66 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.516 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 84.4 t80 -94.7 -44.59 7.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -58.98 -36.04 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -52.85 -19.08 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.69 -29.13 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 11.4 m-80 -108.91 111.32 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -54.22 128.68 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.18 -14.53 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.92 -27.17 60.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.73 -48.21 81.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' B' ' 11' ' ' ASN . 91.8 m -94.82 -52.24 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.535 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 29.9 m-85 -99.73 71.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -33.3 -36.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' PHE . 48.0 t -55.12 -53.2 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 mp -81.82 94.65 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -84.65 35.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -150.67 157.03 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.78 166.63 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 50' ' ' PHE . 53.1 mt -44.65 106.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.9 mt-30 -89.81 -47.64 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.0 m-85 -144.67 135.17 12.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.482 ' CD ' ' HA ' ' A' ' 125' ' ' PRO . 54.0 Cg_endo -69.74 -162.83 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.41 -43.24 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 38.2 mttt -82.4 -69.26 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 39.7 mt-10 -162.74 145.37 8.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.482 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.3 p -106.99 140.95 21.89 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 176.53 6.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.386 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 110' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' A' ' 62' ' ' PHE . 21.0 mt -46.82 -21.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 m -47.37 -39.79 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.6 m -45.38 -42.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -67.27 146.77 53.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.34 -10.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CZ3' HG23 ' A' ' 52' ' ' VAL . 16.4 p-90 -131.38 127.85 38.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -148.02 144.24 27.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.01 110.79 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.04 -149.85 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 5.88 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttm -31.57 133.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.08 170.49 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.429 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 5.0 tmm_? -44.87 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.35 -42.12 40.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.0 71.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.83 -57.07 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -42.4 -47.96 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 t -48.17 -47.15 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.1 mt -54.89 -71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.473 HD13 ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -53.92 -16.19 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.72 -64.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 5.1 mpt_? -66.93 176.61 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ASP . 21.6 m -68.35 121.73 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.9 p-10 -36.41 126.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.27 29.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 50' ' ' PHE . 18.4 m -67.97 162.14 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 111.17 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 16.3 p90 -156.24 167.26 30.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 pp -162.48 176.98 9.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.572 HG23 ' CZ3' ' A' ' 28' ' ' TRP . 2.3 t -118.54 114.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -103.02 163.74 12.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 41.4 tt0 -131.94 155.29 48.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.454 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.8 mmm-85 -94.18 170.27 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.4 -12.69 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.03 -39.78 48.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -142.4 107.56 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.47 -46.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.4 69.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -168.58 128.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CE1' HD11 ' A' ' 23' ' ' LEU . 47.8 m-85 -131.55 174.85 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.32 164.51 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.2 mt -132.92 107.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -103.87 126.52 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.462 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -135.82 142.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.462 ' N ' HG12 ' A' ' 66' ' ' ILE . 14.5 tptm -88.35 132.05 34.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -172.44 138.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 66.14 52.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.62 25.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -154.33 143.33 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.38 124.1 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.4 mmtt -99.79 158.05 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.488 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -137.61 142.55 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.412 HG22 ' CZ ' ' A' ' 111' ' ' PHE . 22.1 mt -126.94 125.67 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -81.96 141.06 33.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.5 mt -114.32 145.87 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.8 mtm -119.61 154.15 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -145.87 119.81 9.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.63 -74.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -113.18 51.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.92 20.92 72.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.2 mt -116.18 131.69 56.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 5.1 m-85 -101.48 129.38 47.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -162.17 139.45 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.563 HD11 ' CZ ' ' A' ' 111' ' ' PHE . 5.9 pt -95.41 -19.96 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.8 p -142.0 157.82 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -68.28 -23.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -71.55 -56.78 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -94.81 139.76 30.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.47 144.31 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.513 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 28.8 m-85 -124.82 167.63 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -93.72 -40.52 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.414 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.91 144.05 14.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.545 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 47.1 tp -42.28 -47.43 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 m -43.87 -68.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -46.71 -54.95 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 10.1 tt -41.28 -33.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.8 t -90.62 -47.85 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.7 -5.73 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 20.7 t80 -97.35 -45.41 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.63 -34.76 65.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -51.0 -17.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -110.81 -23.36 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.434 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 3.6 m-80 -111.34 112.08 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 t -53.69 128.0 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.74 -11.27 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.52 -41.2 84.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.5 m -94.99 -56.78 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.41 101.87 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -19.64 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -74.59 -53.7 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.8 mt -78.77 99.81 6.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.76 35.41 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.2 t -157.67 151.94 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 164.09 12.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 30.8 mt -46.19 109.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.447 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.4 mt-30 -88.66 -51.43 5.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.0 m-85 -143.17 136.89 14.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.425 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.8 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -38.99 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -87.01 -66.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.2 pt-20 -175.18 151.45 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -107.78 143.25 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 162.22 42.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -43.31 -25.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.0 t -47.12 -41.47 17.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 m -41.52 -32.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 92.1 m-70 -78.33 146.1 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tp -57.51 -11.3 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.532 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 20.6 p-90 -130.09 127.47 39.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -148.78 153.21 37.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.5 111.11 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . . . -57.76 -151.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.69 2.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.463 ' CE ' HD11 ' A' ' 41' ' ' ILE . 41.5 ttp -38.6 137.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -90.45 174.6 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.6 tmm_? -44.64 -66.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.58 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.47 -36.59 93.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.84 -57.9 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 21.5 mt-10 -41.48 -43.23 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 41.0 t -51.78 -42.83 62.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.463 HD11 ' CE ' ' A' ' 33' ' ' MET . 91.1 mt -65.79 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -53.28 -18.58 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -69.2 -33.19 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 40' ' ' SER . 62.9 m-80 -93.64 -38.16 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 45' ' ' ARG . 2.1 mmt180 -61.47 -175.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -77.62 172.79 12.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.73 114.67 13.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.16 1.65 18.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.9 m -64.57 158.93 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 24.0 p90 -153.17 170.74 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 pp -160.82 174.45 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 2.8 t -129.47 115.21 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptt-85 -119.45 156.72 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.2 tt0 -100.53 158.93 15.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 26.1 mtt180 -94.61 167.48 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.96 -36.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -53.33 -53.0 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -130.32 118.89 21.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.86 -60.6 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 74.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 0.7 OUTLIER -168.92 147.7 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -141.75 176.49 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.15 156.89 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.78 103.94 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.7 t -99.94 136.51 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.46 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -142.01 145.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 7.7 tptm -94.52 133.31 38.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -174.11 142.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.3 t-20 63.88 50.58 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.4 m 46.67 24.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -151.37 137.5 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.5 t -91.09 121.64 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.49 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 9.7 mttt -95.18 172.06 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.538 ' CE1' ' HG2' ' A' ' 35' ' ' ARG . 6.4 m-70 -150.07 140.72 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.38 135.69 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -95.73 138.42 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 70.5 mt -108.28 137.62 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mtm -112.44 146.63 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.7 p -138.02 135.67 36.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.6 -66.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.13 46.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.64 29.3 63.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -122.75 151.09 41.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -116.73 126.8 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -161.51 138.95 8.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.461 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 5.8 pt -93.78 -19.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.5 p -133.57 155.75 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.63 -37.94 85.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -65.68 -57.74 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -83.32 150.33 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.479 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -154.32 161.3 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 3.2 m-85 -142.4 168.66 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -88.32 -44.47 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.511 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.96 156.04 24.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.512 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 11.5 tp -50.38 -41.34 51.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.4 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 87.1 m -51.9 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 8.6 mm-40 -45.66 -41.41 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.502 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 5.3 tt -56.77 -37.75 71.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 118' ' ' LEU . 98.1 t -83.69 -51.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.17 -5.58 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CE2' ' OD1' ' A' ' 105' ' ' ASN . 83.1 t80 -95.84 -47.35 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.522 ' CG ' HD22 ' A' ' 107' ' ' LEU . 2.3 m-85 -54.23 -36.8 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -52.19 -20.59 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.0 -31.93 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.566 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -111.37 111.73 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -50.1 135.13 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 102' ' ' TYR . 12.8 mt -57.8 -21.18 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 7.5 ptmt -57.63 -19.91 29.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -55.95 -40.86 73.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.3 m -100.47 -50.14 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 40.6 m-85 -91.7 157.49 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -98.06 -40.16 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.0 t -65.64 -47.96 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.469 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 7.7 mt -74.33 96.17 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 11.7 t70 -96.42 25.21 5.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -143.59 178.72 7.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -137.17 172.37 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 65.3 mt -46.44 108.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.455 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 37.6 mm-40 -90.56 -47.46 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.61 135.6 13.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.4 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.237 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -61.43 -50.96 70.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.409 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 20.3 mttp -70.7 -70.27 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -175.53 152.57 1.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 m -100.48 139.91 21.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.678 0.751 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 156.04 64.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.519 HD11 ' CE1' ' A' ' 62' ' ' PHE . 18.1 mt -37.87 -35.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' VAL . 46.8 t -38.61 -49.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' SER . 34.4 m -37.86 -44.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.502 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 99.6 m-70 -64.86 146.88 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.61 -9.47 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.555 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 17.9 p-90 -132.17 128.41 37.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -148.04 151.81 36.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.34 111.0 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 33' ' ' MET . . . -63.37 -148.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.7 Cg_endo -69.7 8.56 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.503 ' C ' ' O ' ' A' ' 32' ' ' PRO . 5.5 tpp -28.56 140.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -98.44 172.35 7.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.46 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 3.3 tmm_? -39.49 -69.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.0 -32.98 82.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -64.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -40.09 -42.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -52.71 -45.2 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.1 mt -59.22 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.06 -27.34 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -57.33 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.05 -45.14 95.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -63.46 -177.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -67.04 169.45 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.31 120.57 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.66 6.13 25.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 50' ' ' PHE . 27.8 m -67.17 156.43 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 118' ' ' LEU . 30.2 p90 -149.88 171.45 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 pp -167.32 176.63 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.555 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 2.8 t -127.0 114.79 38.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -116.82 152.42 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 59.9 tt0 -96.73 160.51 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -93.66 157.06 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.28 -42.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -52.17 -46.85 65.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -131.48 115.37 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -44.6 -58.28 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.04 79.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -165.42 162.12 19.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.519 ' CE1' HD11 ' A' ' 23' ' ' LEU . 42.3 m-85 -160.2 169.16 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.71 154.08 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt -116.81 105.36 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -98.82 125.38 44.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.417 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -135.27 141.39 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 9.6 tptm -88.02 133.04 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -174.15 140.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 66.2 49.47 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.7 m 47.84 25.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 8.6 mm-40 -153.47 141.4 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.6 t -90.15 120.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -95.5 154.85 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 1.2 m-70 -136.99 136.37 38.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 86' ' ' ILE . 4.5 mp -119.82 121.93 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.6 ttpm? -77.97 146.71 35.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.419 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 83.6 mt -121.48 127.27 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.6 mtm -92.86 154.0 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.2 p -149.83 142.07 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.84 -71.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -111.12 11.87 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.3 25.22 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.468 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 3.4 mm? -105.8 176.39 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 4.5 m-85 -150.81 124.34 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -162.16 141.34 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.471 HG21 ' CG2' ' A' ' 75' ' ' ILE . 6.4 pt -96.4 -17.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.5 p -144.33 158.0 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.16 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -60.62 -58.74 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -97.56 141.11 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.47 150.31 34.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.7 m-85 -123.68 173.12 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 6.0 ppt_? -99.2 -36.87 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -137.14 153.33 21.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.93 -42.45 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.502 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 63.5 m -50.86 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -46.45 -45.29 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 10.3 tt -51.6 -34.1 35.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.519 HG11 ' CE2' ' A' ' 28' ' ' TRP . 68.1 t -88.49 -46.01 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.55 -4.93 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.606 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 92.8 t80 -96.83 -46.2 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -55.01 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -50.28 -21.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -109.17 -29.98 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.606 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 11.0 m-80 -107.11 109.67 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -56.19 133.24 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.28 -8.83 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -66.46 -19.95 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.54 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.9 m -101.0 -52.58 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.412 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 21.0 m-85 -97.71 158.01 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.503 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -104.41 -16.3 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -78.99 -45.39 20.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 75' ' ' ILE . 4.4 mt -90.9 100.31 13.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -96.72 29.59 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -147.47 166.1 28.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.69 163.7 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 31.5 mt -41.79 109.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.15 -50.78 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 2.0 m-85 -143.22 134.0 12.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.437 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.1 Cg_endo -69.75 -178.48 2.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.38 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.431 ' CE2' ' HG2' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -61.14 -50.79 71.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 122' ' ' PHE . 1.7 mtpm? -71.74 -69.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 125' ' ' PRO . 1.8 pp20? -176.01 153.28 1.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.415 ' O ' ' CD ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -98.52 142.29 24.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 140.44 42.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.503 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.2 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 36.2 mt -53.07 -25.89 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.3 p -38.88 -40.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 26' ' ' HIS . 34.5 m -45.82 -45.46 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.42 ' N ' HG22 ' A' ' 25' ' ' VAL . 96.3 m-70 -62.11 151.41 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.84 -5.43 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.581 ' CZ3' HG22 ' A' ' 52' ' ' VAL . 20.6 p-90 -135.55 127.6 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -148.95 146.38 27.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.59 110.45 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.44 -154.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.78 3.17 2.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 25.2 ttp -33.48 141.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.7 pt-20 -81.34 155.39 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -37.42 -62.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -46.36 44.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.468 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -53.07 -39.31 57.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.47 54.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -40.75 -49.93 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.8 t -55.53 -42.83 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 mt -60.35 -63.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 49' ' ' THR . 5.8 mt -67.51 -5.17 13.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.98 -59.17 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.58 -46.88 88.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -49.82 -179.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -79.77 158.51 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -61.59 103.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.96 -0.83 3.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.514 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.498 HG21 ' N ' ' A' ' 50' ' ' PHE . 22.7 m -64.95 149.64 49.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 25.1 p90 -145.12 177.96 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -170.53 177.15 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.581 HG22 ' CZ3' ' A' ' 28' ' ' TRP . 2.3 t -121.04 116.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 mtm-85 -105.87 165.19 11.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 40.4 tt0 -129.72 156.06 44.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.467 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.8 tpt85 -97.2 158.03 15.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.7 -33.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -53.68 -45.96 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -136.37 113.95 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.56 -28.82 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.78 54.24 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -141.25 163.93 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 22.2 m-85 -160.22 167.64 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.27 157.45 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 63.6 mt -128.82 102.32 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.4 t -100.55 133.96 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -137.57 145.82 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.433 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.4 tptp -92.95 120.58 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.447 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 3.0 t80 -167.4 138.86 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.2 t-20 72.63 54.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.59 25.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASN . 14.8 mt-10 -156.66 137.6 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.7 t -87.4 123.48 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.592 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 14.8 mmtm -98.19 163.23 12.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.592 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.4 m-70 -152.67 137.2 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.1 mp -125.09 150.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -97.03 147.08 24.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 78' ' ' MET . 58.7 mt -113.18 156.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.4 ' N ' ' CG2' ' A' ' 77' ' ' ILE . 40.0 mtm -125.41 160.04 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.4 p -147.64 125.46 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.88 -74.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -115.5 15.55 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.77 14.04 3.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 2.5 mm? -97.39 179.79 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 2.0 m-85 -143.5 121.86 12.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -159.58 130.15 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 pt -84.29 -24.5 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.3 p -119.4 178.2 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -93.88 -27.18 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -76.51 -55.57 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 12.2 tppt? -85.86 149.51 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -150.05 159.95 44.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 10.0 m-85 -139.48 166.27 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -85.32 -44.39 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.482 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.63 154.9 24.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.491 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 55.6 tp -48.72 -45.35 39.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 m -49.18 -67.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -44.84 -52.49 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.1 tt -48.33 -35.06 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.1 t -82.27 -51.93 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -64.4 -5.37 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.514 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 73.6 t80 -97.61 -47.99 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.557 ' CD1' HD21 ' A' ' 107' ' ' LEU . 1.6 m-85 -52.79 -36.26 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.25 -17.99 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -104.39 -34.24 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.62 112.69 25.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -52.99 135.03 37.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.557 HD21 ' CD1' ' A' ' 102' ' ' TYR . 88.3 mt -59.21 -13.56 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -67.88 -18.69 64.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.28 -38.32 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.04 -38.12 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' B' ' 10' ' ' PRO . 2.9 m-85 -103.49 163.89 12.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -26.29 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.5 m -83.32 -42.73 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.477 ' CD1' ' OE2' ' B' ' 8' ' ' GLU . 28.7 mt -82.68 98.71 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -97.69 37.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -153.86 160.76 42.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.07 163.42 19.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 36.3 mt -43.97 110.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -93.48 -44.68 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.0 m-85 -147.42 138.97 13.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 54.1 Cg_endo -69.75 -169.84 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.757 2.305 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.617 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -71.36 -34.14 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -92.9 -65.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 14.1 pt-20 -175.18 153.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.726 2.284 . . . . 0.0 112.309 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.477 ' OE2' ' CD1' ' A' ' 114' ' ' LEU . 12.3 mt-10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -136.15 133.43 19.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.683 0.754 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.459 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 53.6 Cg_endo -69.79 174.3 9.73 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' SER . 23.9 t70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD11 ' CE1' ' A' ' 62' ' ' PHE . 19.5 mt -35.8 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ASP . 27.4 t -39.46 -46.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -40.18 -44.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.194 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -63.33 147.19 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.43 -10.3 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.504 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 15.3 p-90 -130.28 127.76 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -148.76 151.94 35.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.04 110.92 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.1 -151.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.3 Cg_endo -69.77 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.478 ' CE ' HD11 ' A' ' 41' ' ' ILE . 25.9 ttp -35.37 135.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -80.56 171.85 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -47.68 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.27 -39.69 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.462 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.42 -37.33 94.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -66.91 -61.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' ALA . 28.2 mt-10 -38.33 -51.98 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -43.08 -53.42 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.478 HD11 ' CE ' ' A' ' 33' ' ' MET . 76.5 mt -52.56 -70.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.74 -24.41 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.08 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.54 -41.75 90.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -66.42 -178.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 m -68.18 161.23 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.52 120.67 14.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.9 5.77 23.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 50' ' ' PHE . 16.7 m -65.53 157.85 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 18.8 p90 -155.31 167.44 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 pp -163.27 177.05 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 2.7 t -123.57 118.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -121.35 155.88 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.45 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 53.0 tt0 -102.53 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 10.1 mtt-85 -93.69 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 m -110.01 -36.55 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -50.07 -38.6 38.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 29.3 t70 -145.82 130.08 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.24 -56.47 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.17 75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -155.83 164.78 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CE1' HD11 ' A' ' 23' ' ' LEU . 27.6 m-85 -161.5 165.52 28.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.8 164.93 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.7 mt -134.48 115.36 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 m -111.41 130.99 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.458 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -137.06 144.7 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.5 tptp -90.49 126.55 35.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.483 ' CD2' HG23 ' A' ' 116' ' ' THR . 2.5 t80 -171.94 139.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.421 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 1.8 t-20 69.32 52.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.8 m 45.18 25.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -158.38 143.93 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 85.3 t -93.88 120.67 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -95.45 152.95 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 35' ' ' ARG . 2.0 m-70 -131.95 147.81 52.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 76' ' ' LYS . 48.6 mt -132.01 136.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 75' ' ' ILE . 25.5 ttpp -89.53 151.74 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.3 mt -125.81 145.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 30.3 mtm -121.66 161.86 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -157.21 115.33 3.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.33 -66.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -111.42 48.54 0.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.82 31.16 65.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -124.31 133.11 53.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 5.9 m-85 -102.74 125.57 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -161.98 140.4 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.481 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 6.6 pt -97.65 -16.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.7 p -141.04 161.08 38.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.81 -34.42 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -64.04 -50.58 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.3 tppt? -100.22 147.79 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -152.01 162.38 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -142.6 170.67 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -92.8 -44.13 8.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.524 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.04 151.78 21.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.2 tp -48.06 -49.3 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.6 m -41.87 -56.13 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -61.18 -49.35 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.7 tt -45.93 -35.15 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 118' ' ' LEU . 83.7 t -90.33 -39.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.68 -5.26 36.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.52 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 88.7 t80 -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.577 ' CD1' HD23 ' A' ' 107' ' ' LEU . 2.2 m-85 -53.23 -32.31 47.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -60.67 -11.34 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -112.75 -15.01 13.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -129.84 109.56 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.404 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 29.5 t -45.43 131.15 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 102' ' ' TYR . 17.9 mt -54.98 -19.45 6.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 8.1 pttp -57.59 -22.9 47.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.23 -43.6 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.435 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 63.8 m -96.47 -58.58 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.481 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 23.0 m-85 -87.35 160.41 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -47.03 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -57.0 -47.83 79.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.1 mt -79.72 99.89 7.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.408 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 3.8 t70 -102.2 31.23 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.483 HG23 ' CD2' ' A' ' 68' ' ' TYR . 14.2 t -146.17 155.16 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.404 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -111.56 165.81 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 52.1 mt -47.23 111.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.4 -51.74 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -142.13 136.7 15.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.432 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.75 -166.88 0.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.748 2.298 . . . . 0.0 112.341 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -36.41 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -91.75 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 10.6 pt-20 -175.1 152.28 1.45 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.75 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -94.48 142.57 24.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.89 63.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 58.4 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' SER . 1.3 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 62' ' ' PHE . 14.8 mt -42.91 -24.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' ASP . 56.1 p -48.66 -41.55 31.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -42.64 -30.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -80.06 151.84 29.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.0 tp -64.99 -8.6 16.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CE3' HG23 ' A' ' 52' ' ' VAL . 19.9 p-90 -132.4 127.75 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -148.46 147.78 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -152.63 110.43 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.88 -152.72 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.541 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.5 Cg_endo -69.78 6.28 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttm -29.68 137.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -173.52 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' NH1' ' ND1' ' A' ' 74' ' ' HIS . 13.1 tpp180 -61.45 -69.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.14 -27.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.47 -34.65 63.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.21 -62.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -41.85 -53.51 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.8 t -42.52 -55.11 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' CD1' ' HE3' ' A' ' 33' ' ' MET . 85.1 mt -48.74 -70.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.475 HD11 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.64 -14.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.14 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -60.23 -28.88 68.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -78.63 174.26 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -61.51 157.17 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -68.08 114.84 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.73 2.03 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.5 m -66.04 155.55 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CG ' HD21 ' A' ' 118' ' ' LEU . 32.5 p90 -151.32 166.96 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 pp -161.65 175.85 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -123.54 112.99 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -107.24 168.85 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 42.2 tt0 -131.16 154.15 48.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.444 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.1 ptm180 -94.0 171.52 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 m -104.59 -29.23 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -59.24 -59.0 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -120.15 110.07 16.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.62 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.76 75.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 62' ' ' PHE . 5.4 tm-20 -169.78 170.13 8.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' A' ' 23' ' ' LEU . 33.0 m-85 -163.08 173.66 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.461 ' N ' HD13 ' A' ' 77' ' ' ILE . . . -149.84 163.98 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 70.6 mt -135.59 107.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 m -106.56 131.4 53.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.469 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -139.59 144.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 12.1 tptm -91.0 133.15 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.44 ' CG ' HG22 ' A' ' 116' ' ' THR . 2.0 t80 -175.58 134.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.474 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.7 t-20 71.24 55.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 1.0 OUTLIER 40.63 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' ASN . 8.2 mt-10 -156.0 133.23 10.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.1 t -87.16 125.01 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.556 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 35.5 mmtt -101.44 164.26 11.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -147.41 145.2 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.439 ' CG2' HG23 ' A' ' 86' ' ' ILE . 51.7 mt -129.75 123.37 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -83.4 130.61 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.461 HD13 ' N ' ' A' ' 63' ' ' ALA . 25.3 mt -98.59 156.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 27.8 mtm -132.44 146.2 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.6 p -136.33 138.08 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.08 -74.88 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -108.4 47.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.05 30.58 50.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.7 mt -124.88 144.16 50.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.56 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 2.9 m-85 -113.51 127.76 56.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -161.95 144.36 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.488 HD11 ' CZ ' ' A' ' 111' ' ' PHE . 7.6 pt -102.98 -13.92 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.3 p -141.37 160.19 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -74.69 -32.19 62.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -61.72 -59.93 4.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 8.4 tppt? -98.58 147.85 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -144.6 154.65 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -131.71 171.91 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 4.5 ppt_? -98.43 -35.18 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.56 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -144.57 155.22 26.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.56 -39.4 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -50.1 -55.66 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.82 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.13 -28.84 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.2 t -92.96 -43.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.99 -5.47 35.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.511 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 79.7 t80 -97.38 -50.76 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.562 ' CE1' HD22 ' A' ' 107' ' ' LEU . 1.6 m-85 -53.32 -32.59 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 36.4 mt-30 -59.47 -12.53 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -112.75 -15.53 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -130.12 109.02 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.425 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 7.7 t -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' A' ' 102' ' ' TYR . 9.2 mt -58.09 -16.88 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -59.19 -16.86 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -59.26 -36.91 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 64.3 m -104.39 -58.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.488 ' CZ ' HD11 ' A' ' 86' ' ' ILE . 23.1 m-85 -87.18 158.49 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.1 -42.87 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -57.24 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 mt -77.05 96.18 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.48 23.12 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.44 HG22 ' CG ' ' A' ' 68' ' ' TYR . 15.3 t -136.18 -177.28 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -138.76 171.01 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.511 HD21 ' CG ' ' A' ' 50' ' ' PHE . 48.1 mt -50.51 107.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.421 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 60.9 mt-30 -89.99 -48.49 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.487 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-85 -143.97 136.54 13.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.461 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.77 -171.25 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.77 -52.4 25.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -67.72 -70.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 3.5 pt-20 -175.17 151.68 1.37 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -107.26 141.02 22.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.21 53.4 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.283 . . . . 0.0 112.314 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 25.4 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.838 0.352 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 mt -40.62 -30.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 m -40.21 -44.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.4 m -43.91 -46.38 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -61.94 146.03 51.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.34 -9.49 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CZ3' HG22 ' A' ' 52' ' ' VAL . 16.0 p-90 -131.52 128.36 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -148.43 140.57 24.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.49 110.09 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.66 -144.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.8 6.01 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.2 ttp -29.72 137.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.62 175.87 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HD3' ' CD ' ' A' ' 39' ' ' GLU . 5.7 tmm_? -45.33 -68.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.92 -30.28 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.92 -27.72 73.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.65 -60.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 23.8 mt-10 -43.7 -43.97 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -53.0 -37.35 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.69 -71.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -54.32 -21.52 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -72.27 -63.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.05 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -62.05 -37.37 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -179.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 m -67.42 146.56 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.38 108.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.01 7.6 4.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.411 ' CG2' HD13 ' A' ' 42' ' ' LEU . 10.0 m -70.25 161.09 30.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 16.6 p90 -156.56 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 65' ' ' SER . 0.9 OUTLIER -163.57 177.2 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.577 HG22 ' CZ3' ' A' ' 28' ' ' TRP . 2.2 t -118.49 114.73 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -100.03 169.04 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.468 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 52.7 tt0 -133.42 157.58 45.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.0 mmt180 -94.0 161.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.3 m -106.8 -5.93 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -85.68 -47.35 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' ALA . 5.6 m-20 -135.08 102.87 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.44 -42.86 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.81 69.62 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -169.28 129.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -128.8 177.62 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.0 165.66 35.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 mt -129.99 118.65 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.435 ' HB2' ' CD1' ' A' ' 51' ' ' LEU . 50.4 m -113.2 117.28 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.44 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -130.35 141.01 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 15.1 tptm -87.32 137.4 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.519 ' CG ' HG23 ' A' ' 116' ' ' THR . 2.3 t80 -174.46 135.36 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.0 t-20 66.47 51.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.8 m 46.31 25.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 5.2 mm-40 -152.39 136.87 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.7 t -94.49 124.65 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.613 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 53.0 mmtt -100.24 170.82 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.613 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -150.58 141.41 22.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.429 HD13 ' CD2' ' A' ' 107' ' ' LEU . 26.2 mt -121.99 128.33 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -87.67 126.61 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -100.16 135.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.8 mtm -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.6 p -143.1 127.61 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.63 -69.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.52 47.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.94 63.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -123.58 139.55 53.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 0.5 OUTLIER -117.3 128.83 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -162.44 139.23 7.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.463 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 2.9 pt -90.79 -19.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 p -140.99 166.55 24.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -75.76 -26.35 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.0 -59.45 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -100.23 150.24 22.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.16 168.83 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 20.8 m-85 -140.44 169.53 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.39 -20.65 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.521 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -150.05 152.53 24.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.482 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.6 m -57.59 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -51.64 -45.87 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.552 ' HG ' ' CE1' ' A' ' 92' ' ' PHE . 7.5 tt -48.66 -42.76 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.4 t -79.83 -45.38 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.78 -5.66 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.519 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 43.2 t80 -96.92 -51.16 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 104' ' ' GLN . 2.3 m-85 -47.88 -47.29 31.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -43.2 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 102' ' ' TYR . 9.6 mt-30 -102.73 -35.81 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -104.84 114.15 28.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -61.92 136.09 57.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' A' ' 75' ' ' ILE . 7.5 mp -59.42 -10.42 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -64.85 -16.9 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.34 -47.81 46.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 40.6 m -95.11 -50.2 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.463 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 23.4 m-85 -95.73 123.31 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -15.34 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.2 m -78.22 -53.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 mt -82.87 114.71 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -105.34 24.43 12.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.519 HG23 ' CG ' ' A' ' 68' ' ' TYR . 13.0 t -141.31 163.89 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -115.13 174.18 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.574 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 1.8 mp -61.22 109.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.485 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 25.6 mm-40 -87.95 -49.2 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.2 m-85 -142.9 138.39 15.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.22 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -40.17 58.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -85.03 -65.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -175.04 151.28 1.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -112.23 138.9 21.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.03 39.82 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LEU . 17.4 t70 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.595 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 24.4 mt -51.39 -18.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -52.64 -37.51 58.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.7 m -51.7 -17.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.171 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -92.39 147.04 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.31 -9.61 2.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.564 ' CZ3' HG23 ' A' ' 52' ' ' VAL . 12.3 p-90 -131.87 127.65 36.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.65 146.11 28.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -151.31 110.56 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.4 -155.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.79 4.76 2.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.472 ' C ' ' O ' ' A' ' 32' ' ' PRO . 8.1 ttp -32.53 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -85.5 174.43 9.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 8.1 tmm_? -55.16 -61.69 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -32.51 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.461 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -72.13 -30.16 65.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.91 -63.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -38.24 -53.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.8 t -45.39 -52.17 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CD1' ' HE3' ' A' ' 33' ' ' MET . 34.3 mt -48.05 -70.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.98 -26.96 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.07 -62.2 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -49.8 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -175.22 -176.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.83 104.23 16.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.81 -1.58 9.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 50' ' ' PHE . 10.2 m -64.94 160.25 21.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 21.0 p90 -152.91 168.52 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 pp -161.18 177.11 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.564 HG23 ' CZ3' ' A' ' 28' ' ' TRP . 2.5 t -123.94 117.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 8.8 mtm-85 -108.53 164.2 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 53.1 tt0 -115.39 159.99 20.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.463 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 ttm180 -93.72 172.7 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 -33.42 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.45 -46.68 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.468 ' CB ' ' OE1' ' A' ' 61' ' ' GLU . 20.3 m-20 -142.48 131.75 23.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.4 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . . . -78.48 57.72 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' OE1' ' CB ' ' A' ' 58' ' ' ASP . 17.1 mp0 -151.22 161.53 42.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.595 ' CE1' ' CD1' ' A' ' 23' ' ' LEU . 38.2 m-85 -162.85 175.04 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.82 164.08 38.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.95 100.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 32.1 t -93.97 141.83 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.46 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -146.92 144.41 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.5 tptp -92.79 132.9 36.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD2' HG21 ' A' ' 116' ' ' THR . 5.4 t80 -175.15 137.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 1.9 t-20 66.21 52.21 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.25 24.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -154.17 138.04 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.5 t -97.14 119.38 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HG3' ' CG ' ' A' ' 114' ' ' LEU . 24.0 mmtt -95.44 167.72 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -137.77 140.66 40.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.49 HG12 ' CG ' ' B' ' 8' ' ' GLU . 7.8 mt -121.39 115.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -78.34 141.54 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -113.57 131.43 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 31.9 mtm -104.09 148.95 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 p -144.64 131.73 20.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.06 -58.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -116.65 44.24 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.52 31.29 61.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.8 mt -123.7 145.42 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 2.3 m-85 -114.15 121.51 43.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -154.0 141.74 20.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.522 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 2.1 pp -101.67 -13.23 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.456 HG21 ' CD1' ' A' ' 86' ' ' ILE . 1.4 p -148.81 127.03 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -42.77 -24.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 87' ' ' THR . 25.3 mmmt -68.66 -51.5 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.477 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 5.6 tppp? -100.61 146.78 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -148.86 134.23 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.539 ' N ' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -116.22 172.66 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.57 -31.67 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.02 141.94 9.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 47.5 tp -43.93 -42.63 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.3 m -44.75 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.11 -51.98 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 92' ' ' PHE . 6.1 tt -43.93 -37.71 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.0 t -85.68 -47.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.2 -5.24 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.526 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 75.6 t80 -97.23 -49.56 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.5 m-85 -53.04 -31.6 42.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -60.55 -11.24 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.04 -14.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -130.38 109.81 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -45.97 134.11 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.572 HD23 ' CE1' ' A' ' 102' ' ' TYR . 14.1 mt -60.37 -15.85 29.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -56.12 -22.46 28.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.96 -31.62 41.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 13.3 m -120.85 -48.68 2.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' B' ' 8' ' ' GLU . 2.7 m-85 -92.18 85.5 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -41.49 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -57.49 -54.21 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.417 ' CG ' ' HG3' ' A' ' 73' ' ' LYS . 5.9 mp -79.72 100.25 7.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -96.79 34.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.562 HG21 ' CD2' ' A' ' 68' ' ' TYR . 13.9 t -141.2 157.33 45.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.65 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 60.4 mt -43.12 109.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.87 -51.99 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -142.32 138.66 16.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.411 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.75 -166.44 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -72.77 -51.8 17.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.409 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 33.0 mttt -69.86 -69.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.87 150.76 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.836 0.351 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -134.98 133.38 20.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.17 5.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 24' ' ' SER . 23.7 t0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 20.1 mt -43.77 -22.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 22' ' ' ASP . 36.6 p -45.74 -43.48 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -42.67 -40.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -69.02 152.5 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.7 tp -66.2 -3.45 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CE3' HG23 ' A' ' 52' ' ' VAL . 13.6 p-90 -138.0 127.27 24.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -149.6 145.06 26.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.39 109.89 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -154.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.77 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.1 ttp -31.24 143.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.78 160.69 28.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 7.3 tmm_? -43.47 -62.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -31.53 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -64.88 -34.19 89.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . -77.24 -60.66 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -38.12 -57.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -49.57 -46.62 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.7 mt -55.62 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -49.65 -17.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.24 -63.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -61.82 -25.88 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -176.1 169.46 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.93 97.68 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.41 4.76 5.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -72.48 153.86 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 10.9 p90 -148.25 169.23 20.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.477 ' N ' HD21 ' A' ' 51' ' ' LEU . 1.1 pt? -162.83 177.26 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' CE3' ' A' ' 28' ' ' TRP . 2.7 t -120.82 117.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 4.9 mtm105 -105.01 170.06 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 43.1 tt0 -128.76 158.88 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 tpt180 -96.22 150.17 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 57' ' ' LYS . 18.6 m -86.77 -40.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.427 ' N ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -44.51 -52.36 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.17 137.65 26.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.68 41.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.21 42.61 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 19.7 mp0 -158.15 175.34 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 60.9 m-85 -162.24 176.12 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.06 164.37 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mt -133.1 101.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.436 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 70.0 m -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.437 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -137.93 143.04 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 66' ' ' ILE . 20.1 tptm -88.51 128.63 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CZ ' ' OD1' ' A' ' 115' ' ' ASP . 1.0 OUTLIER -164.72 136.89 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.2 t-20 62.85 52.66 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.43 25.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.46 132.49 15.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -92.07 118.49 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.53 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.1 mmtt -94.38 172.11 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.53 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -148.89 139.06 22.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.446 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.2 mp -120.74 130.67 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -85.05 136.23 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.9 mt -108.47 131.95 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.5 mtm -104.15 154.83 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.5 p -151.09 134.78 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.0 -68.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -110.43 49.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.98 27.79 68.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 64.8 mt -117.89 145.71 44.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.325 . . . . 0.0 110.973 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.438 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 8.0 m-85 -117.77 124.05 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -160.82 139.37 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.515 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 2.6 pp -101.23 -13.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.46 ' CG2' HD11 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -148.48 125.87 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -44.19 -28.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -56.78 -53.32 59.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.502 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 29.7 tptt -113.74 140.59 48.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.06 44.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 1.6 m-85 -122.91 168.94 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -87.11 -49.02 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.438 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -132.58 153.45 20.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.65 -41.78 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.2 m -48.34 -62.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.32 -53.87 38.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 6.7 tt -43.12 -38.8 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 118' ' ' LEU . 85.7 t -81.6 -46.6 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.62 -5.33 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -96.23 -47.94 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.42 ' CD1' HD23 ' A' ' 107' ' ' LEU . 1.7 m-85 -53.53 -44.25 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -44.31 -21.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.1 mp0 -106.93 -28.71 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -111.09 112.22 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 t -48.47 131.38 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 116' ' ' THR . 8.8 mt -52.57 -15.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -62.84 -23.59 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.27 -41.81 63.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.8 m -99.45 -59.43 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 50.7 m-85 -84.59 168.71 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -101.83 -59.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -47.86 -53.9 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.81 103.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.55 ' OD1' ' CZ ' ' A' ' 68' ' ' TYR . 0.6 OUTLIER -104.0 14.33 30.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.449 ' O ' ' CD1' ' A' ' 107' ' ' LEU . 13.4 t -136.71 156.51 48.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.99 166.9 10.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 43.4 mt -45.78 112.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.37 -51.69 5.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -140.36 134.62 15.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 178.92 4.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.451 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 1.2 t80 -59.63 -48.95 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.451 ' HG2' ' CD2' ' A' ' 122' ' ' PHE . 14.5 mtpt -72.32 -70.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.488 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 6.1 pt-20 -176.15 152.58 1.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.294 . . . . 0.0 112.332 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.838 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -101.34 135.61 19.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.23 66.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.508 ' ND2' ' C ' ' A' ' 111' ' ' PHE . 7.2 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.6 t0 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.872 0.368 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.568 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 27.3 mt -53.28 -20.82 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 p -52.86 -35.6 57.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 m -50.01 -27.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -81.92 153.12 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.96 -3.68 7.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ3' HG23 ' A' ' 52' ' ' VAL . 19.9 p-90 -137.44 127.59 26.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -149.68 145.77 26.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 52' ' ' VAL . . . -153.98 110.57 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.07 -151.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.0 Cg_endo -69.69 4.31 2.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.458 ' C ' ' O ' ' A' ' 32' ' ' PRO . 12.6 ttp -32.72 133.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.1 pt-20 -69.82 154.19 42.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.4 tmm_? -34.97 -64.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.65 28.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -47.56 -34.59 9.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 -51.17 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' ALA . 41.1 mt-10 -38.49 -54.1 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -50.97 -50.15 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.2 mt -54.51 -59.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.408 ' CB ' ' HB2' ' A' ' 67' ' ' LYS . 6.5 mt -70.79 -14.59 62.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -76.91 -62.51 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -58.32 -42.25 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 45' ' ' ARG . 1.6 mpt_? -60.21 -174.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -78.0 147.44 34.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.21 104.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.67 -1.83 2.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.4 ' C ' HD23 ' A' ' 42' ' ' LEU . 17.6 m -66.42 156.87 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.122 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CZ ' ' OE1' ' A' ' 103' ' ' GLN . 17.9 p90 -149.81 175.22 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -170.18 177.44 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.578 HG23 ' CZ3' ' A' ' 28' ' ' TRP . 2.4 t -123.14 105.27 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 12.1 mtm105 -96.88 169.2 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 29.8 tt0 -126.89 155.15 43.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 39.1 mtt-85 -93.85 156.04 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.0 -35.62 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -45.77 -46.91 15.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -152.77 119.42 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.0 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.05 47.31 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.03 141.7 16.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 23' ' ' LEU . 42.5 m-85 -129.77 173.19 10.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.03 141.58 19.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.427 HD13 ' CD2' ' A' ' 98' ' ' LEU . 49.2 mt -107.25 108.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -105.82 118.48 36.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.416 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -126.53 142.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.416 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.2 tptm -91.75 125.2 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CG ' HG22 ' A' ' 116' ' ' THR . 2.2 t80 -162.76 134.96 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.406 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.0 t-20 71.62 52.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.1 m 44.45 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -149.14 136.32 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.505 HG11 ' CE1' ' A' ' 74' ' ' HIS . 97.6 t -89.95 124.92 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 47.5 mmtt -106.18 162.97 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.505 ' CE1' HG11 ' A' ' 72' ' ' VAL . 1.0 OUTLIER -148.0 144.88 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.567 HD12 ' CD2' ' A' ' 111' ' ' PHE . 36.9 mt -129.91 135.03 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -85.25 128.45 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.407 ' CD1' HG13 ' A' ' 64' ' ' ILE . 41.8 mt -104.29 132.17 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 69.4 mtm -96.26 164.41 12.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -137.17 136.45 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -137.71 109.82 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 48.8 45.69 21.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.63 53.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 30.2 mt -106.73 -179.69 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 27.9 m-85 -152.87 120.6 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -158.35 136.42 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.465 HD13 ' CG2' ' A' ' 87' ' ' THR . 2.7 pp -99.15 -11.97 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.465 ' CG2' HD13 ' A' ' 86' ' ' ILE . 8.1 p -144.21 136.59 26.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.44 -21.48 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -79.01 -52.55 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -89.7 151.99 21.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.566 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -155.31 156.58 35.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 90' ' ' LYS . 1.2 m-85 -143.26 173.98 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -95.49 -38.82 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.521 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.84 153.71 22.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 62.7 tp -51.47 -48.56 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -46.77 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 6.6 mp0 -41.47 -45.14 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.2 tt -55.52 -42.46 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.476 HG13 ' CE2' ' A' ' 28' ' ' TRP . 96.8 t -77.43 -53.67 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.64 -6.88 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 48.8 t80 -94.62 -49.94 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.45 -38.12 65.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.626 ' OE1' ' CZ ' ' A' ' 50' ' ' PHE . 3.5 mt-30 -52.7 -15.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.91 -31.29 7.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 3.6 m-80 -104.45 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -56.63 123.12 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 75' ' ' ILE . 8.4 mp -55.26 -17.27 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.47 -21.31 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.35 -33.99 70.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.35 -60.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.567 ' CD2' HD12 ' A' ' 75' ' ' ILE . 77.5 m-85 -99.53 92.4 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.44 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -46.29 -22.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.2 m -66.48 -52.26 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.12 91.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -85.94 39.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.517 HG22 ' CG ' ' A' ' 68' ' ' TYR . 13.7 t -155.45 159.64 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -112.18 170.89 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mp -57.51 111.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.531 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 33.9 mm-40 -88.99 -47.58 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.7 m-85 -145.7 137.81 13.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.76 -168.09 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.1 -36.1 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -90.05 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.5 pt-20 -174.75 149.81 1.31 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.89 0.376 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -108.38 128.93 24.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.34 63.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.44 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 HD13 ' CE1' ' A' ' 62' ' ' PHE . 17.7 mt -44.95 -25.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -52.37 -46.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -39.95 -36.49 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -74.17 155.5 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.1 mt -69.24 -1.34 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.548 ' CE3' HG23 ' A' ' 52' ' ' VAL . 16.4 p-90 -139.0 125.99 21.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -150.88 147.3 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.97 109.5 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.35 -154.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.2 Cg_endo -69.68 6.55 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.6 ttp -34.41 152.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.37 175.25 8.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 7.4 tmm_? -54.47 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -46.44 -35.03 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.04 -30.5 77.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 53' ' ' ARG . . . -76.27 -66.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 17.9 mt-10 -41.64 -42.2 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 t -53.99 -44.67 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 51' ' ' LEU . 81.0 mt -60.51 -71.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -56.34 -13.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -82.66 -56.48 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -70.42 -32.32 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 7.1 mpt_? -74.08 176.15 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 m -56.58 163.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.76 120.62 21.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.11 6.06 24.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 50' ' ' PHE . 18.2 m -66.61 157.86 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 17.0 p90 -152.4 171.58 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 41' ' ' ILE . 1.8 pp -170.19 177.43 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.548 HG23 ' CE3' ' A' ' 28' ' ' TRP . 2.7 t -122.95 121.41 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 38' ' ' ALA . 3.3 ptp180 -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.459 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 50.4 tt0 -91.41 159.17 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 23.5 mtp180 -96.51 141.92 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.0 m -90.29 -37.77 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -45.47 -39.74 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -157.34 115.25 3.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.87 177.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 61' ' ' GLU . . . 60.68 48.6 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 40.6 mt-10 -163.67 122.94 2.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.408 ' CE1' HD13 ' A' ' 23' ' ' LEU . 53.0 m-85 -113.7 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.63 161.33 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 mt -128.71 108.25 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.0 m -101.44 125.68 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.463 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -132.16 145.7 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.511 ' HZ1' ' N ' ' A' ' 68' ' ' TYR . 11.4 tptp -91.69 126.38 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.511 ' N ' ' HZ1' ' A' ' 67' ' ' LYS . 4.4 t80 -169.95 143.88 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.44 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 66.42 52.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.7 m 45.91 25.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -156.85 152.17 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.32 123.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.506 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 62.5 mmtt -96.0 155.02 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.506 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.3 m-70 -142.61 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 76' ' ' LYS . 48.2 mt -126.89 141.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 75' ' ' ILE . 30.0 tttt -94.79 137.59 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 78' ' ' MET . 49.9 mt -108.02 138.26 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.414 ' N ' HG23 ' A' ' 77' ' ' ILE . 19.9 mtm -111.11 146.09 37.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.7 p -141.7 139.97 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.5 -71.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.9 48.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.16 62.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -117.77 150.46 39.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 1.1 m-85 -121.89 124.93 45.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -159.0 129.9 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 87' ' ' THR . 2.7 pp -88.89 -9.87 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.457 ' CG2' HD13 ' A' ' 86' ' ' ILE . 5.9 p -144.5 164.01 32.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -79.59 -35.73 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.4 -50.97 65.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.582 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 7.6 tmtm? -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.53 161.68 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 6.7 m-85 -130.94 171.98 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -94.96 -38.59 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.562 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.27 164.35 25.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.5 tp -58.77 -49.78 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 m -46.14 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -44.52 -52.79 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.552 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.6 tt -50.46 -28.93 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 118' ' ' LEU . 55.7 t -87.58 -48.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.47 -5.25 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 89.3 t80 -94.91 -48.83 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CD1' HD12 ' A' ' 107' ' ' LEU . 1.4 m-85 -54.14 -39.05 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.42 -21.15 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -108.99 -28.2 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.561 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 7.6 m-80 -110.96 112.1 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -55.28 141.41 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.567 HD12 ' CD1' ' A' ' 102' ' ' TYR . 10.1 mp -66.44 -12.76 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -67.37 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.94 -40.52 78.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.62 -42.24 6.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -101.35 169.92 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 -17.26 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 t -86.0 -35.72 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 mt -94.07 102.73 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.32 27.28 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -147.27 155.04 41.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.16 159.81 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 36.3 mt -39.6 105.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 43.5 mt-30 -85.52 -49.25 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 4.4 m-85 -145.2 133.89 10.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -164.03 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.73 -51.24 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 12.5 mmtt -56.68 -69.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -172.37 153.66 2.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 t -138.74 137.62 20.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.46 49.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 24' ' ' SER . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.1 mt -44.51 -22.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 22' ' ' ASP . 35.1 p -49.61 -41.36 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 m -45.58 -28.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.425 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 98.4 m-70 -80.7 149.7 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.61 -8.57 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CZ3' HG22 ' A' ' 52' ' ' VAL . 20.9 p-90 -132.11 127.17 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -150.1 149.28 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 53' ' ' ARG . . . -154.02 110.79 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 33' ' ' MET . . . -63.67 -156.11 0.13 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 8.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -34.59 152.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.21 175.63 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 18.5 tpp85 -53.22 -65.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -36.9 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.9 -34.35 89.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 53' ' ' ARG . . . -71.9 -66.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 24.7 mt-10 -41.54 -42.49 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -53.04 -42.39 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.2 mt -63.23 -72.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -56.48 -12.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -76.97 -63.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -64.5 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -179.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 m -65.57 169.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -79.02 120.92 24.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.19 9.49 23.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 50' ' ' PHE . 10.0 m -69.35 157.16 37.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' CG ' HD22 ' A' ' 118' ' ' LEU . 20.8 p90 -151.44 174.02 13.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 HD12 ' NH2' ' A' ' 53' ' ' ARG . 1.2 pp -169.91 177.28 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.579 HG22 ' CZ3' ' A' ' 28' ' ' TRP . 2.9 t -124.89 114.78 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' CZ ' ' CB ' ' A' ' 38' ' ' ALA . 2.6 ptp180 -121.0 142.44 49.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.4 tt0 -96.48 160.22 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 1.9 mmp_? -93.61 146.04 24.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -97.96 -31.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -39.0 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.73 105.48 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.06 173.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 71.51 31.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -149.81 119.5 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 54' ' ' GLN . 32.2 m-85 -110.84 172.94 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.15 149.46 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.5 mt -118.04 111.41 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.62 127.13 49.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.45 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -135.66 142.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 10.0 tptm -85.03 127.87 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.507 ' CG ' HG23 ' A' ' 116' ' ' THR . 2.9 t80 -167.18 141.91 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.5 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 64.18 50.81 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.92 25.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 4.0 mm-40 -154.61 146.99 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -93.07 120.69 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 56.1 mmtt -94.77 160.95 14.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -146.24 136.2 23.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.549 HG12 ' CE2' ' A' ' 111' ' ' PHE . 38.6 mt -120.54 142.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -93.67 135.64 34.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.439 HG21 ' N ' ' A' ' 78' ' ' MET . 67.9 mt -107.83 147.88 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.439 ' N ' HG21 ' A' ' 77' ' ' ILE . 14.4 mtm -125.29 153.61 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.4 p -145.45 136.81 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.87 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -117.77 45.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.61 22.34 53.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -116.77 135.96 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 3.6 m-85 -107.68 126.1 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -162.3 132.38 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.517 HD11 ' CZ ' ' A' ' 111' ' ' PHE . 5.6 pt -91.95 -18.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -136.85 161.24 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.55 -30.47 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -58.92 -55.02 40.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.2 tmtt? -110.18 140.01 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.467 ' N ' ' HD3' ' A' ' 90' ' ' LYS . . . -134.98 156.4 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 16.2 m-85 -128.81 174.59 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -25.95 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -143.36 128.91 3.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' GLY . 22.6 tp -36.53 -49.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.912 0.386 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.425 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 62.3 m -47.59 -59.82 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -50.69 -44.7 57.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.5 tt -55.15 -28.15 50.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 94.4 t -91.05 -50.96 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.05 -5.41 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 89.4 t80 -96.49 -50.53 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CE1' HD23 ' A' ' 107' ' ' LEU . 2.5 m-85 -50.96 -39.88 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -49.16 -20.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -103.93 -32.03 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.505 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -110.93 111.91 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -49.81 133.65 21.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.572 HD23 ' CE1' ' A' ' 102' ' ' TYR . 12.7 mt -59.71 -20.74 58.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -55.6 -24.45 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -54.52 -29.82 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 77.8 m -113.53 -48.5 2.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.549 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.7 m-85 -102.55 94.42 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -23.95 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.3 p -69.11 -32.96 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mp -101.77 101.36 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -92.0 29.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.507 HG23 ' CG ' ' A' ' 68' ' ' TYR . 14.8 t -142.34 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -136.83 172.02 13.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.53 HD22 ' CG ' ' A' ' 50' ' ' PHE . 36.2 mt -51.64 107.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.427 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 77.1 mt-30 -93.73 -47.18 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.5 m-85 -144.62 137.79 13.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.79 -166.61 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -76.25 -36.24 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -91.38 -64.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.418 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 0.5 OUTLIER -175.42 147.0 0.94 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.727 2.285 . . . . 0.0 112.373 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -108.49 141.05 22.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 175.11 8.53 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 62' ' ' PHE . 20.7 mt -45.48 -27.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.0 t -40.89 -44.05 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 26' ' ' HIS . 22.3 m -43.23 -45.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.422 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 97.8 m-70 -63.62 146.61 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.62 -8.82 3.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CE3' HG22 ' A' ' 52' ' ' VAL . 13.7 p-90 -131.63 127.7 37.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -148.81 142.07 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.82 109.78 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.65 -145.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.75 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 ttp -31.78 120.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . 13.3 pt-20 -72.07 167.26 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.0 tmm_? -35.69 -69.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.16 47.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.422 ' C ' ' HG2' ' A' ' 33' ' ' MET . . . -52.11 -32.75 36.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.86 -56.35 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.708 0.289 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -43.23 -44.14 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -55.25 -35.25 64.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 96.7 mt -70.79 -74.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.413 ' H ' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.57 -16.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 41' ' ' ILE . . . -69.76 -40.05 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -86.0 -40.37 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 9.0 mmm180 -60.27 168.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 t -58.96 164.32 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.39 112.66 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.16 2.58 10.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 50' ' ' PHE . 25.0 m -64.44 156.11 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 17.7 p90 -152.28 174.44 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 pp -165.94 175.04 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.579 HG22 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -118.13 113.93 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.3 mtm105 -101.64 168.35 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 38.8 tt0 -135.52 158.81 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.6 tpp180 -93.92 127.89 39.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 p -76.48 -31.23 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -58.87 -40.95 85.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.1 128.39 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.37 40.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.07 41.88 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -169.93 173.35 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 23' ' ' LEU . 31.0 m-85 -155.1 177.93 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.55 162.0 41.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.85 104.7 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 21.3 t -96.27 140.91 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.458 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -149.61 143.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.3 tptm -89.69 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -166.71 140.86 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.49 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 63.53 51.58 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 6.3 m 47.15 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -152.88 142.12 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.34 118.89 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -98.4 172.78 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -142.73 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.491 HG12 ' CG ' ' B' ' 8' ' ' GLU . 10.6 mt -119.87 115.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -78.89 144.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.8 mt -114.92 137.43 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -105.27 157.51 17.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.4 p -151.64 128.96 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.46 -58.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -115.97 44.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.15 33.48 62.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -122.67 159.05 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -125.62 125.52 43.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -162.57 148.77 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.578 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 2.6 pp -108.16 -16.05 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.45 ' CG2' HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -149.11 130.95 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -46.25 -24.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -61.56 -51.83 66.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -113.29 143.87 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -143.84 144.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 1.7 m-85 -124.53 170.92 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -22.02 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.35 147.46 17.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 33.7 tp -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.422 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 37.8 m -48.04 -52.08 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.1 tt -49.78 -33.61 16.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -87.97 -42.88 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.17 -6.81 36.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.538 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 74.1 t80 -96.73 -47.48 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -52.55 -39.16 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -51.91 -17.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.76 -12.62 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.538 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 11.7 m-80 -126.24 108.49 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -51.75 152.18 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 117' ' ' THR . 8.9 mp -85.53 -16.39 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -56.28 -17.92 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.32 -49.46 60.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 11' ' ' ASN . 24.8 m -94.45 -46.6 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.578 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 21.9 m-85 -91.72 133.33 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -81.53 -43.48 18.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.2 t -65.35 -46.91 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.6 110.77 15.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -109.02 33.47 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -153.59 174.76 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.475 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -129.57 166.07 20.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 24.1 mt -46.64 108.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.444 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -89.65 -51.14 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.81 135.22 13.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.81 -169.02 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -72.42 -32.7 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -93.43 -65.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 3.3 pt-20 -172.74 150.53 2.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 0.0 112.38 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.503 ' HG2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -137.54 135.99 19.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.633 0.73 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.55 24.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 110' ' ' CYS . 11.6 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.903 0.383 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -53.51 -24.35 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -55.09 -35.45 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 26' ' ' HIS . 19.5 m -59.2 -29.91 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.46 ' N ' HG21 ' A' ' 25' ' ' VAL . 84.9 m-70 -74.56 144.51 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.88 -10.9 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.589 ' CZ3' ' CG2' ' A' ' 52' ' ' VAL . 27.9 p-90 -130.24 127.02 38.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -149.81 142.43 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.57 110.24 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.61 -143.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.1 Cg_endo -69.71 5.65 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.657 2.238 . . . . 0.0 112.382 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 32' ' ' PRO . 31.0 ttm -30.7 142.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -83.75 162.36 20.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 13.9 tpt180 -42.84 -57.14 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.72 -41.64 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -60.42 -37.93 93.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' CB ' ' HD2' ' A' ' 53' ' ' ARG . . . -71.09 -52.77 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.069 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.54 -48.48 80.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -57.07 -39.46 75.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.477 ' CD1' ' HE1' ' A' ' 33' ' ' MET . 15.2 mt -63.88 -62.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.85 1.5 4.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.97 -41.85 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -75.83 -38.95 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 12.8 mmm180 -60.65 -173.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.5 m -83.83 147.29 27.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.64 100.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.91 -7.24 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.476 HG21 ' N ' ' A' ' 50' ' ' PHE . 20.1 m -65.79 146.48 54.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 118' ' ' LEU . 26.5 p90 -138.37 -179.93 6.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 pp -170.57 177.18 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.589 ' CG2' ' CZ3' ' A' ' 28' ' ' TRP . 2.5 t -123.48 114.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 46.1 mtp180 -106.53 160.29 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -120.63 159.12 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -94.87 150.56 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -87.74 -41.61 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -45.45 -41.23 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.35 135.1 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.14 40.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.91 30.41 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -149.68 170.14 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -151.39 177.52 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.83 149.5 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.1 mt -120.46 98.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 t -97.66 132.87 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.424 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -138.38 142.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.554 ' HZ3' ' N ' ' A' ' 68' ' ' TYR . 7.9 tptp -87.8 120.23 28.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.554 ' N ' ' HZ3' ' A' ' 67' ' ' LYS . 2.6 t80 -164.16 137.87 5.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 73.46 54.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 m 43.21 26.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -157.77 143.55 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.54 116.84 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.557 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 31.7 mmtt -95.01 161.56 14.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -146.02 146.19 30.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.564 HG21 ' CE2' ' A' ' 111' ' ' PHE . 17.5 mt -135.11 140.32 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.44 ' N ' HG23 ' A' ' 75' ' ' ILE . 2.2 ttmp? -85.21 152.45 23.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.26 124.43 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 49.0 mtm -91.14 168.72 11.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -142.46 135.58 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.55 112.25 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 46.18 46.84 13.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.97 24.84 51.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.638 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 22.2 mt -106.93 -179.47 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 16.5 m-85 -153.91 125.78 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.21 130.46 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -84.68 -16.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 p -150.58 133.35 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -48.93 -24.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -57.52 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -117.47 147.33 42.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.567 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -131.2 164.24 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 2.6 m-85 -146.34 173.74 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -91.51 -40.23 11.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.564 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -141.83 161.19 27.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.6 tp -54.47 -43.0 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.5 m -59.26 -62.3 1.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -41.74 -42.42 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 10.6 tt -67.78 -32.51 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.516 HG13 ' CE2' ' A' ' 28' ' ' TRP . 15.3 t -78.82 -56.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.74 -6.09 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.516 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 82.4 t80 -94.4 -46.16 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.578 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.3 m-85 -56.24 -35.51 67.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -50.59 -17.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.09 -36.55 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.516 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -104.79 112.83 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -47.25 135.91 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 102' ' ' TYR . 37.2 mt -56.81 -20.31 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -23.44 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.37 -35.9 52.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.2 m -112.31 -60.67 1.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 75' ' ' ILE . 38.8 m-85 -93.4 105.58 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -50.91 -48.02 60.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.9 p -42.75 -55.24 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' B' ' 8' ' ' GLU . 4.5 mm? -75.89 97.08 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -92.35 23.49 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -146.22 164.48 32.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 163.03 16.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 18.6 mt -42.01 107.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.437 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 29.2 mm-40 -86.62 -51.12 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 6.0 m-85 -143.78 140.44 17.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 174.24 9.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.36 -52.23 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -66.84 -72.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -175.69 140.53 0.59 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.0 mm-40 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.848 0.356 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -101.81 132.72 21.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 159.37 53.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 62' ' ' PHE . 42.0 mt -48.74 -23.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.6 t -48.4 -41.33 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.9 m -47.09 -44.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -66.5 153.08 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 10.8 mt -66.46 -6.97 16.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.583 ' CE3' HG21 ' A' ' 52' ' ' VAL . 16.9 p-90 -132.01 126.04 32.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -150.34 136.89 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.83 109.97 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.17 -148.47 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.74 6.18 1.4 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 13.6 ttp -30.33 144.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.28 160.45 30.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' NE ' ' CE1' ' A' ' 74' ' ' HIS . 10.3 tpt180 -44.36 -61.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.38 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.436 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -65.68 -30.39 77.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -86.85 -65.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ALA . 42.9 mt-10 -37.19 -47.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -54.4 -42.21 70.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' ALA . 97.3 mt -59.85 -71.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -55.41 -16.19 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.8 -58.87 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.2 -32.0 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.48 175.89 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -59.4 159.55 7.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.33 116.28 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.25 5.75 12.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 50' ' ' PHE . 19.5 m -66.98 160.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 14.9 p90 -157.84 167.25 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 41' ' ' ILE . 1.5 pp -163.62 177.11 9.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.583 HG21 ' CE3' ' A' ' 28' ' ' TRP . 2.2 t -118.88 115.92 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -103.3 169.96 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -134.54 148.98 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -94.23 159.64 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.56 -7.06 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -75.62 -52.11 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.9 m-20 -134.57 109.13 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.84 -58.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 74.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -169.11 134.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CE1' HD12 ' A' ' 23' ' ' LEU . 62.6 m-85 -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.13 156.79 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.436 HG13 ' CD1' ' A' ' 77' ' ' ILE . 40.5 mt -122.22 105.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -101.36 122.37 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -134.22 141.57 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 12.2 tptm -84.28 129.49 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -170.14 136.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 70.96 51.64 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.56 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.466 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 30.0 mm-40 -156.63 147.64 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.5 t -89.27 121.32 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.638 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 34.2 mmtt -95.23 163.65 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.638 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -147.52 142.78 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.478 HG12 ' CE2' ' A' ' 111' ' ' PHE . 44.7 mt -126.47 146.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -90.66 138.53 31.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.436 ' CD1' HG13 ' A' ' 64' ' ' ILE . 66.5 mt -119.94 108.08 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -85.05 162.29 19.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.9 p -136.5 133.64 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.86 113.31 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 44.03 48.04 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.11 52.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.538 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.596 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 18.1 mt -107.37 -179.41 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 7.8 m-85 -150.58 120.89 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -158.74 139.7 12.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.447 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 6.8 pt -95.37 -19.15 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 p -130.86 162.94 28.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.44 -31.05 57.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -73.87 -49.31 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.5 tppt? -93.71 149.57 21.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.46 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.73 157.5 38.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.076 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -135.77 173.36 11.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -93.9 -40.5 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.04 159.1 24.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 19.9 tp -59.06 -39.22 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.7 m -53.75 -68.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -43.93 -48.83 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.463 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.2 tt -48.22 -37.51 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.458 HG11 ' NE1' ' A' ' 28' ' ' TRP . 65.7 t -85.31 -49.9 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.37 -5.55 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.589 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 54.7 t80 -95.45 -46.8 6.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.9 m-85 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -40.78 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' TYR . 1.9 mp0 -104.1 -28.55 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.589 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 9.0 m-80 -108.95 112.36 24.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.4 t -51.95 131.12 30.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 102' ' ' TYR . 36.3 mt -56.05 -16.94 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -61.78 -24.82 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.32 -44.78 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.88 -61.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.478 ' CE2' HG12 ' A' ' 75' ' ' ILE . 34.8 m-85 -87.49 160.75 18.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -95.27 -45.94 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -56.97 -54.12 50.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.433 ' N ' HD22 ' A' ' 114' ' ' LEU . 4.2 mm? -68.55 91.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -95.84 25.64 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 t -147.56 160.22 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.57 166.41 11.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 24.5 mt -45.47 107.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 28.6 mm-40 -87.15 -55.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 125' ' ' PRO . 2.7 m-85 -140.16 131.25 14.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.662 0.744 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.96 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.416 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 1.9 t80 -81.02 -45.72 16.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.71 -67.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.97 155.43 2.39 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.491 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.278 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -89.85 141.74 28.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 155.02 66.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' SER . 70.7 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 62' ' ' PHE . 17.2 mt -39.86 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 15.5 m -45.58 -43.79 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.6 m -42.32 -44.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -62.96 157.09 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 15.5 mt -71.6 1.54 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.51 ' CE2' HG13 ' A' ' 99' ' ' VAL . 8.7 p-90 -142.65 126.02 16.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -150.45 148.32 28.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.71 109.86 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.29 -148.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.3 Cg_endo -69.84 3.74 2.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.0 ttm -33.06 146.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . 8.8 pt-20 -99.18 165.06 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLU . 5.9 tmm_? -34.17 -69.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -44.82 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.55 53.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 -46.65 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' ALA . 22.7 mt-10 -42.64 -54.79 3.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 t -47.71 -49.63 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mt -52.67 -49.24 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.11 -6.54 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -85.19 -50.66 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -74.07 -39.26 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -178.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -64.78 162.08 16.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 116.84 16.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.06 4.69 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 120' ' ' PHE . 13.7 m -64.75 161.31 18.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 18.2 p90 -153.26 169.71 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -169.96 176.91 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 2.6 t -123.8 121.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -122.52 150.11 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 39.8 tt0 -101.62 158.53 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.8 mtp180 -95.24 168.12 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.1 t -100.05 -50.67 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -43.7 -43.01 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -132.73 124.03 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.89 -63.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.46 78.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -169.14 123.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.432 ' CE1' HD11 ' A' ' 23' ' ' LEU . 47.0 m-85 -117.44 169.22 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.91 135.13 12.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mt -99.52 124.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t -115.13 117.6 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.95 139.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -87.48 127.4 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -165.46 147.06 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.478 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 1.9 t-20 62.94 50.65 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.95 25.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.4 145.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.496 HG11 ' CE1' ' A' ' 74' ' ' HIS . 60.2 t -92.58 118.87 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' CB ' HD23 ' A' ' 114' ' ' LEU . 20.6 mmtp -96.9 168.83 10.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.496 ' CE1' HG11 ' A' ' 72' ' ' VAL . 7.4 m-70 -149.56 140.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.61 131.9 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -87.18 134.26 33.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.5 mt -110.27 142.16 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.4 mtm -113.87 154.12 28.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.1 p -143.69 112.12 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.129 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.49 -72.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -112.25 51.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.24 24.84 70.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 48.8 mt -115.86 162.31 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.523 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 1.2 m-85 -131.39 128.93 40.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.466 ' NE ' ' HB3' ' A' ' 91' ' ' ALA . 6.7 ptp180 -162.31 137.53 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.446 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 4.9 pt -87.98 -24.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' B' ' 10' ' ' PRO . 7.3 p -146.2 135.81 23.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.97 -23.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -59.26 -52.4 65.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.573 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 4.4 tmtt? -117.86 137.22 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB3' ' NE ' ' A' ' 85' ' ' ARG . . . -130.6 152.78 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 2.2 m-85 -125.71 172.04 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -90.17 -46.26 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.28 155.99 24.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 21.7 tp -50.51 -47.33 57.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.9 m -45.49 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.06 -42.04 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 102' ' ' TYR . 6.4 tt -54.58 -42.52 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.51 HG13 ' CE2' ' A' ' 28' ' ' TRP . 59.5 t -77.52 -45.11 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.29 -5.64 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.614 ' CZ ' ' CG ' ' A' ' 105' ' ' ASN . 67.4 t80 -97.28 -49.67 4.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CE2' HD22 ' A' ' 98' ' ' LEU . 2.3 m-85 -49.33 -47.8 46.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.08 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.9 mp0 -104.8 -32.93 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.614 ' CG ' ' CZ ' ' A' ' 101' ' ' PHE . 1.6 m-80 -104.94 113.75 27.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.4 p -54.34 143.62 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 107' ' ' LEU . 10.9 mp -72.44 -16.49 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -61.56 -26.57 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.05 -51.28 24.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.48 -32.69 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.1 m-85 -110.0 77.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -33.68 -46.4 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -48.59 -55.42 11.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.503 ' CD2' ' CD ' ' B' ' 8' ' ' GLU . 3.5 mm? -72.58 92.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.81 44.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -168.45 174.44 6.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -127.6 174.12 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.532 ' HG ' ' CG ' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -57.24 104.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.464 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 21.5 mm-40 -85.46 -48.7 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.3 m-85 -143.04 130.47 10.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.444 ' HA ' ' CE1' ' A' ' 50' ' ' PHE . 53.5 Cg_endo -69.75 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -79.71 -44.16 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 4.5 mmpt? -72.85 -70.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -173.01 149.4 1.78 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.503 ' CD ' ' CD2' ' A' ' 114' ' ' LEU . 44.5 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.9 p -102.4 147.27 33.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.457 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.9 Cg_endo -69.7 148.09 64.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.497 HD11 ' CE1' ' A' ' 62' ' ' PHE . 15.4 mt -54.37 -26.87 32.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' VAL . 16.2 p -44.33 -48.34 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' SER . 7.5 m -37.33 -36.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.409 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 99.3 m-70 -73.75 146.33 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.64 -9.49 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.672 ' CZ3' ' CG2' ' A' ' 52' ' ' VAL . 24.1 p-90 -131.82 128.46 38.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -148.17 141.63 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -152.75 110.34 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.87 -152.51 1.38 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.72 5.0 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.2 ttp -30.57 140.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.67 156.1 38.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.626 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 16.7 tpp85 -41.13 -60.84 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -38.71 51.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.463 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -51.87 -35.07 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.434 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -79.21 -58.26 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 30.0 mt-10 -35.78 -57.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -50.47 -47.8 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.8 mt -56.97 -64.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.411 HD22 ' C ' ' A' ' 49' ' ' THR . 5.6 mt -66.74 -7.9 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -95.4 -30.67 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -88.73 -36.49 16.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -59.14 -75.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -175.57 179.16 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -85.24 101.2 12.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.52 -4.69 5.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 50' ' ' PHE . 20.0 m -65.01 154.87 36.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 111.151 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 28.0 p90 -148.14 175.63 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -169.56 177.12 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.672 ' CG2' ' CZ3' ' A' ' 28' ' ' TRP . 2.4 t -119.33 112.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 20.7 mtm105 -99.88 167.2 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.1 tt0 -123.62 158.26 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.9 tpp180 -93.85 156.64 16.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.455 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 94.7 t -95.66 -37.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -51.1 -58.38 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.8 123.43 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . -45.53 -49.6 13.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 59' ' ' ALA . 7.1 mt-10 -169.18 161.51 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.497 ' CE1' HD11 ' A' ' 23' ' ' LEU . 44.7 m-85 -159.01 175.57 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.66 161.7 41.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mt -128.14 100.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 t -96.57 129.19 44.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.421 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -135.64 142.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.421 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.9 tptm -89.27 121.64 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CB ' HD13 ' A' ' 66' ' ' ILE . 4.4 t80 -163.85 139.51 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.2 t-20 67.46 54.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.06 25.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ASN . 29.3 mm-40 -151.14 132.77 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.7 t -86.24 114.4 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.543 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 4.7 mmmt -94.89 170.86 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.626 ' CE1' ' CD ' ' A' ' 35' ' ' ARG . 2.0 m-70 -151.35 143.92 24.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.462 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.3 mp -125.63 129.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.2 ttpm? -81.61 150.08 28.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 89.8 mt -121.08 135.89 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtm -106.05 154.14 21.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.6 p -147.54 150.92 35.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.76 -73.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.93 12.63 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.15 11.78 4.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 83' ' ' LEU . 3.0 mm? -93.32 168.09 11.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 5.0 m-85 -139.37 120.82 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -159.3 137.49 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.554 HD11 ' CZ ' ' A' ' 111' ' ' PHE . 28.7 pt -86.58 -25.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.2 p -137.49 167.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -72.21 -35.58 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -62.47 -55.59 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -88.34 151.84 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.505 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -156.67 160.4 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 5.3 m-85 -145.55 171.57 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -20.99 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.7 141.83 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.4 tp -52.81 -43.81 66.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.409 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 19.2 m -50.69 -50.11 55.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.11 -44.87 90.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.8 tt -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.434 ' CG1' ' CD1' ' A' ' 118' ' ' LEU . 97.4 t -92.83 -46.91 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -65.87 -5.38 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.508 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 77.8 t80 -98.58 -47.2 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.453 ' CD1' HD21 ' A' ' 107' ' ' LEU . 4.8 m-85 -51.93 -31.97 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.45 ' HB2' ' NE2' ' A' ' 104' ' ' GLN . 68.5 mt-30 -54.52 -21.38 9.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.45 ' NE2' ' HB2' ' A' ' 103' ' ' GLN . 0.3 OUTLIER -102.65 -34.98 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -104.77 113.8 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -55.52 131.73 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 102' ' ' TYR . 59.3 mt -55.83 -15.07 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -60.0 -16.94 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -63.34 -34.92 78.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . 0.433 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 56.4 m -109.62 -50.28 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.554 ' CZ ' HD11 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.72 97.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -51.8 -26.63 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 5.1 t -68.8 -49.03 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.18 104.87 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -98.03 21.59 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.5 t -141.23 160.98 38.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -118.69 170.49 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.511 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 34.5 mt -47.6 108.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.575 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.5 mt-30 -90.59 -48.33 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.6 m-85 -145.44 138.65 14.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.76 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -41.64 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -81.75 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.418 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -175.16 150.68 1.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.696 0.76 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.748 2.298 . . . . 0.0 112.35 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.3 p -115.22 142.05 28.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 17.2 m-80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' ASP . 65.2 p -43.62 -40.49 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 m -47.2 -43.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.491 ' CE1' HG21 ' A' ' 96' ' ' THR . 99.7 m-70 -62.74 156.67 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.9 mt -72.85 0.52 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.556 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 14.6 p-90 -141.36 126.61 18.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -149.6 151.28 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.46 111.04 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.9 -150.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.8 3.38 2.82 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.242 . . . . 0.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.469 ' CE ' HD12 ' A' ' 41' ' ' ILE . 4.0 ttp -33.26 140.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 15.2 pt-20 -89.2 167.7 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' GLU . 4.5 tmm_? -36.12 -68.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.57 -48.92 57.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.19 -31.24 6.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -84.27 -52.54 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' ALA . 28.1 mt-10 -37.69 -55.3 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -47.45 -46.72 26.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.469 HD12 ' CE ' ' A' ' 33' ' ' MET . 25.6 mt -58.6 -58.98 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 2.8 mt -74.54 -4.55 37.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -83.68 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -63.05 -44.07 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -56.33 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -68.33 141.16 55.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.16 106.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 132.37 1.85 4.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.432 ' C ' HD23 ' A' ' 42' ' ' LEU . 18.1 m -64.63 165.08 10.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 21.7 p90 -155.44 170.88 20.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -169.84 175.66 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.556 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 2.6 t -123.2 106.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -111.68 152.57 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 44.4 tt0 -97.6 160.43 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.436 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 4.0 mtt-85 -93.58 168.11 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.0 m -105.57 -16.32 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.23 -43.81 49.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -133.73 116.28 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.28 -61.05 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.2 74.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.08 124.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -110.6 172.41 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.3 145.5 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.5 mt -109.76 123.23 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -117.8 117.92 30.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.64 137.84 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 14.1 tptm -85.58 137.94 32.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.487 ' CD2' HG21 ' A' ' 116' ' ' THR . 3.6 t80 -175.38 138.9 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 66.19 49.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.51 26.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -151.28 135.53 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.09 118.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 51.0 mmtt -98.45 172.21 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 3.6 m-70 -150.95 146.41 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 87.0 mt -122.19 127.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 119.56 26.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 78' ' ' MET . 35.9 mt -93.5 147.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . 0.405 ' N ' HG22 ' A' ' 77' ' ' ILE . 29.6 mtm -116.82 149.41 40.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.0 p -145.01 126.45 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.45 -72.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -107.48 49.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.13 29.34 66.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -121.25 147.48 45.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.532 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -121.02 126.99 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -161.66 146.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.568 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 2.6 pp -106.48 -12.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 p -144.18 168.0 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.12 -26.31 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.88 -54.17 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -93.72 142.69 27.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.1 140.56 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.7 m-85 -123.23 172.0 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -24.57 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.1 139.78 9.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.7 tp -50.18 -39.29 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.491 HG21 ' CE1' ' A' ' 26' ' ' HIS . 28.8 m -52.89 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.94 -46.84 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.7 tt -49.31 -40.81 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.436 HG12 ' CE2' ' A' ' 28' ' ' TRP . 95.8 t -80.44 -51.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.56 -6.98 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.506 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 50.6 t80 -94.78 -50.26 5.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.432 ' CD1' HD12 ' A' ' 107' ' ' LEU . 1.4 m-85 -50.51 -46.4 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -44.99 -21.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 102' ' ' TYR . 5.9 mt-30 -104.16 -34.79 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.88 112.89 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -50.29 141.49 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 102' ' ' TYR . 10.4 mp -68.87 -17.28 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -60.89 -21.93 63.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.81 -48.24 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.12 -41.05 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 10.8 m-85 -112.02 86.78 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.594 ' N ' ' HZ2' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -47.04 -22.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -63.1 -49.18 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' B' ' 8' ' ' GLU . 2.6 mt -88.64 118.65 28.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -104.29 32.76 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.487 HG21 ' CD2' ' A' ' 68' ' ' TYR . 15.2 t -148.65 157.11 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -119.81 173.91 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.532 ' HG ' ' CG ' ' A' ' 50' ' ' PHE . 1.6 mp -54.29 103.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -84.81 -48.66 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.81 136.17 13.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . 0.499 ' CD ' ' HA ' ' A' ' 125' ' ' PRO . 54.0 Cg_endo -69.79 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.403 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 2.0 t80 -82.47 -34.84 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 18.2 mtpt -91.03 -67.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 31.3 mt-10 -163.33 144.73 7.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.499 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.457 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 5.6 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -111.19 138.8 21.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.5 53.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.18 -21.66 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -48.75 -33.24 9.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -52.43 -35.05 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -74.0 153.51 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.4 mt -67.52 -9.96 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CE3' HG23 ' A' ' 52' ' ' VAL . 7.9 p-90 -128.3 125.43 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -151.14 148.12 27.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 52' ' ' VAL . . . -155.3 109.39 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 -151.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.2 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . 0.483 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 6.6 ttp -32.28 146.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' ARG . 9.7 pt-20 -91.51 162.58 14.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -33.79 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.31 -45.35 45.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.425 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -51.65 -37.63 42.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.09 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' ALA . 25.8 mt-10 -56.47 -53.04 62.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -44.21 -47.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.483 ' CD1' ' HE2' ' A' ' 33' ' ' MET . 41.7 mt -60.93 -62.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 HD21 ' C ' ' A' ' 49' ' ' THR . 2.1 mt -73.1 2.86 6.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -92.95 -17.99 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -124.69 -21.4 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -55.14 -72.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 t -175.76 174.53 2.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -82.81 97.55 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.87 1.62 8.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 50' ' ' PHE . 14.3 m -65.16 151.3 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.61 ' CZ ' ' OE1' ' A' ' 103' ' ' GLN . 10.4 p90 -147.09 174.49 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 pp -169.28 177.13 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.533 HG23 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -123.21 107.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -108.73 142.86 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -83.14 160.16 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -96.5 149.07 22.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.67 -33.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -149.34 136.68 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -22.88 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.79 53.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 5.3 mm-40 -155.87 128.31 7.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -117.56 176.09 5.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.59 150.21 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.9 mt -116.46 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -95.34 128.67 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.453 HD13 ' CB ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -136.81 143.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.45 ' N ' HG12 ' A' ' 66' ' ' ILE . 11.2 tptm -89.73 120.04 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.453 ' CB ' HD13 ' A' ' 66' ' ' ILE . 2.1 t80 -161.46 134.7 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.462 ' O ' HG21 ' A' ' 70' ' ' VAL . 1.8 t-20 73.0 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 40.64 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ASN . 19.9 mt-10 -152.75 134.77 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.6 t -87.5 117.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.631 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 5.1 mmmt -96.8 171.03 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.631 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 2.7 m-70 -151.35 144.84 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 76' ' ' LYS . 16.4 mt -132.15 138.58 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 22.6 ttmt -84.36 149.61 25.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 96.8 mt -117.54 131.56 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 44.0 mtm -92.38 169.83 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.2 p -149.95 119.44 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.08 111.48 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 50.38 44.51 26.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.21 21.39 58.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 29.6 mt -100.68 177.42 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 17.7 m-85 -154.75 124.0 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -160.29 142.6 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 102' ' ' TYR . 44.9 pt -97.22 -15.11 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 p -137.76 166.46 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.57 -29.52 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.76 -55.3 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -92.3 149.91 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.633 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -148.92 163.44 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -146.58 173.26 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -93.45 -46.46 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . 0.459 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -128.39 160.18 22.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.2 tp -60.83 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 m -54.76 -70.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 12.6 mm-40 -44.94 -49.29 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.0 tt -47.45 -35.94 9.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 28' ' ' TRP . 84.2 t -90.17 -57.22 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.12 -10.26 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.517 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 92.3 t80 -95.36 -47.17 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 86' ' ' ILE . 2.2 m-85 -56.44 -27.09 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.61 ' OE1' ' CZ ' ' A' ' 50' ' ' PHE . 4.3 mt-30 -63.48 -7.75 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -115.94 -33.36 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -105.78 113.66 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -51.76 133.25 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.56 -8.32 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -60.63 -16.72 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -33.59 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.6 m -102.93 -50.81 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -106.14 98.61 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -48.8 -28.04 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 43.6 t -67.48 -48.5 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.412 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 3.8 mm? -80.18 86.44 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 32.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -153.05 164.63 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.71 161.05 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.591 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 30.9 mt -42.99 112.44 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.553 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 20.3 mt-30 -89.38 -53.68 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.3 m-85 -144.54 135.69 12.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -168.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.8 OUTLIER -79.95 -46.08 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.02 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 125' ' ' PRO . 0.4 OUTLIER -176.13 154.79 1.43 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.415 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.36 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' GLU . . . . . 0.4 ' CD ' HD22 ' A' ' 114' ' ' LEU . 32.5 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -111.54 130.61 22.93 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.732 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.98 69.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.262 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t 63.74 41.93 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -143.37 171.83 13.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.94 105.48 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -53.31 164.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -102.89 140.32 37.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.0 158.81 31.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -128.65 -33.02 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . 48.1 37.8 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -88.38 108.62 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.23 117.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -96.29 97.9 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -141.82 110.34 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 8.6 m-80 -110.02 91.2 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -104.59 44.08 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -100.19 168.91 9.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -132.94 81.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.93 75.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.52 40.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.3 Cg_endo -69.72 -177.55 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.282 . . . . 0.0 112.367 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' PRO . 25.2 tp60 -36.22 137.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 24' ' ' SER . 7.8 t70 -171.97 153.38 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD13 ' CE1' ' A' ' 62' ' ' PHE . 28.4 mt -41.05 -26.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.7 m -45.27 -44.12 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 12.6 m -42.83 -37.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.483 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 97.3 m-70 -73.56 150.61 41.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.7 mt -65.13 -5.75 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.581 ' CZ3' HG23 ' A' ' 52' ' ' VAL . 18.5 p-90 -134.75 127.82 31.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -148.98 145.5 27.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.76 111.02 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.52 -148.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.551 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.81 4.54 2.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.9 ttp -32.28 142.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.25 179.73 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 20.1 tpp85 -52.3 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -42.51 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.13 -37.67 81.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.33 -47.61 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ALA . 34.2 mt-10 -51.21 -57.0 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -49.12 -41.95 37.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.465 ' CD1' ' HE3' ' A' ' 33' ' ' MET . 15.9 mt -61.33 -51.7 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.492 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 3.3 mt -82.29 -5.47 58.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -91.36 -42.8 10.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -79.31 -37.41 37.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.7 mpt_? -65.24 -176.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 m -68.21 153.44 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 115.34 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.45 7.37 9.96 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.448 HG21 ' N ' ' A' ' 50' ' ' PHE . 27.9 m -69.51 157.98 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.18 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.5 ' CG ' HD21 ' A' ' 118' ' ' LEU . 17.6 p90 -152.44 172.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -169.86 176.93 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.581 HG23 ' CZ3' ' A' ' 28' ' ' TRP . 2.6 t -122.26 114.77 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 63' ' ' ALA . 10.4 ptt85 -116.31 154.94 29.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.476 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 19.8 tt0 -108.11 152.38 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' NE ' ' O2P' ' B' ' 7' ' ' PTR . 27.5 ttt180 -93.97 165.21 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.69 -37.75 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -44.67 -57.46 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.09 114.11 16.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.12 -46.47 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.91 63.16 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.11 124.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CE1' HD13 ' A' ' 23' ' ' LEU . 40.7 m-85 -116.71 164.53 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -150.75 137.71 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.417 HG13 ' CD1' ' A' ' 77' ' ' ILE . 51.7 mt -102.04 111.41 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 t -107.3 118.96 38.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -129.83 143.14 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 15.4 tptm -87.9 127.32 35.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -166.06 144.77 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.507 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 64.93 49.46 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.7 m 48.25 25.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -153.84 148.0 25.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.4 t -90.31 121.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 18.9 mmtp -101.48 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.6 m-70 -143.12 152.61 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.486 HD13 ' CD2' ' A' ' 111' ' ' PHE . 23.1 mt -134.42 141.67 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -92.81 117.7 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.417 ' CD1' HG13 ' A' ' 64' ' ' ILE . 69.0 mt -93.79 136.25 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 mtt -94.05 169.5 10.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 p -147.33 116.12 6.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -120.74 113.38 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 43.33 47.84 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.07 23.5 55.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.558 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 19.2 mt -104.68 -179.35 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 15.7 m-85 -155.54 123.38 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.1 143.19 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.535 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 2.7 pp -108.58 -11.39 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.469 ' CG2' HD11 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -129.81 166.2 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.56 -32.8 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -74.63 -47.76 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -94.7 150.34 20.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.67 137.28 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.518 ' N ' ' CD1' ' A' ' 92' ' ' PHE . 1.1 m-85 -116.53 173.62 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 6.7 ppt_? -104.14 -32.77 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.426 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -134.75 153.28 21.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 10.6 tp -61.76 -46.36 89.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.483 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 39.2 m -52.15 -49.39 63.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -58.64 -46.7 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.5 tt -55.87 -32.49 63.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG13 ' CE2' ' A' ' 28' ' ' TRP . 96.1 t -81.79 -53.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.22 -5.66 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.516 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 84.4 t80 -94.7 -44.59 7.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -58.98 -36.04 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -52.85 -19.08 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.69 -29.13 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 11.4 m-80 -108.91 111.32 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -54.22 128.68 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 8.0 mp -57.18 -14.53 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.92 -27.17 60.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.73 -48.21 81.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' B' ' 11' ' ' ASN . 91.8 m -94.82 -52.24 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.535 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 29.9 m-85 -99.73 71.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -33.3 -36.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' PHE . 48.0 t -55.12 -53.2 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 mp -81.82 94.65 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -84.65 35.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -150.67 157.03 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -116.78 166.63 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.5 HD21 ' CG ' ' A' ' 50' ' ' PHE . 53.1 mt -44.65 106.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.9 mt-30 -89.81 -47.64 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.0 m-85 -144.67 135.17 12.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.482 ' CD ' ' HA ' ' A' ' 125' ' ' PRO . 54.0 Cg_endo -69.74 -162.83 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.41 -43.24 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 38.2 mttt -82.4 -69.26 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.516 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 39.7 mt-10 -162.74 145.37 8.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.482 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo -69.74 -168.62 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -113.65 177.23 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.412 ' C ' ' CD ' ' A' ' 127' ' ' LYS . 0.0 OUTLIER -150.19 163.05 39.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 129' ' ' THR . 20.9 tpp180 59.0 40.82 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 128' ' ' ARG . 1.7 m 35.05 48.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.428 HD11 ' N ' ' A' ' 131' ' ' SER . 0.0 OUTLIER -72.79 127.77 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.428 ' N ' HD11 ' A' ' 130' ' ' ILE . 15.9 m -154.57 158.08 39.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -121.59 104.91 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -65.95 157.99 29.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -114.59 87.72 0.45 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.42 8.12 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.3 m 40.64 41.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.0 t -137.83 129.98 28.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.444 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -80.96 -49.69 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -61.2 150.48 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -155.39 110.08 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.17 61.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.52 -31.81 65.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.497 ' O2P' ' NE ' ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -53.13 151.34 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.3 p -106.99 140.95 21.89 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 176.53 6.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.386 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 110' ' ' CYS . 0.9 OUTLIER -52.29 110.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.62 -55.56 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -45.17 -49.74 11.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.02 97.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 m -60.49 164.4 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -83.12 158.29 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.81 131.6 4.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -117.4 111.35 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -70.66 114.42 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.62 117.27 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -126.34 42.04 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.73 123.68 45.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -134.39 163.56 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.21 175.03 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -114.86 77.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -90.77 136.33 33.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -127.23 79.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -131.04 76.96 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -120.58 -30.06 4.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' TRP . 5.8 pt-20 37.43 33.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.07 84.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.12 2.98 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -84.51 30.45 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -47.55 164.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.577 HD11 ' CE1' ' A' ' 62' ' ' PHE . 21.0 mt -46.82 -21.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 m -47.37 -39.79 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.6 m -45.38 -42.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -67.27 146.77 53.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.34 -10.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.572 ' CZ3' HG23 ' A' ' 52' ' ' VAL . 16.4 p-90 -131.38 127.85 38.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -148.02 144.24 27.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.01 110.79 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.04 -149.85 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 5.88 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttm -31.57 133.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.08 170.49 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.429 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 5.0 tmm_? -44.87 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.35 -42.12 40.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.0 71.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -81.83 -57.07 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -42.4 -47.96 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.3 t -48.17 -47.15 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 98.1 mt -54.89 -71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.473 HD13 ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -53.92 -16.19 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -76.72 -64.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 5.1 mpt_? -66.93 176.61 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ASP . 21.6 m -68.35 121.73 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.9 p-10 -36.41 126.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.27 29.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 50' ' ' PHE . 18.4 m -67.97 162.14 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 111.17 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 16.3 p90 -156.24 167.26 30.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 pp -162.48 176.98 9.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.572 HG23 ' CZ3' ' A' ' 28' ' ' TRP . 2.3 t -118.54 114.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -103.02 163.74 12.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.454 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 41.4 tt0 -131.94 155.29 48.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.454 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.8 mmm-85 -94.18 170.27 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.4 -12.69 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.03 -39.78 48.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -142.4 107.56 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.47 -46.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -74.4 69.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -168.58 128.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.577 ' CE1' HD11 ' A' ' 23' ' ' LEU . 47.8 m-85 -131.55 174.85 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.32 164.51 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 23.2 mt -132.92 107.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -103.87 126.52 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.462 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -135.82 142.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.462 ' N ' HG12 ' A' ' 66' ' ' ILE . 14.5 tptm -88.35 132.05 34.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -172.44 138.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.468 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 66.14 52.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.62 25.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -154.33 143.33 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.38 124.1 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.4 mmtt -99.79 158.05 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.488 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -137.61 142.55 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.412 HG22 ' CZ ' ' A' ' 111' ' ' PHE . 22.1 mt -126.94 125.67 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -81.96 141.06 33.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 34.5 mt -114.32 145.87 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.8 mtm -119.61 154.15 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 73.2 p -145.87 119.81 9.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.63 -74.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -113.18 51.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.92 20.92 72.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.2 mt -116.18 131.69 56.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.545 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 5.1 m-85 -101.48 129.38 47.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -162.17 139.45 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.563 HD11 ' CZ ' ' A' ' 111' ' ' PHE . 5.9 pt -95.41 -19.96 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.8 p -142.0 157.82 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -68.28 -23.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -71.55 -56.78 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -94.81 139.76 30.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.47 144.31 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.513 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 28.8 m-85 -124.82 167.63 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -93.72 -40.52 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.414 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.91 144.05 14.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.545 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 47.1 tp -42.28 -47.43 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 m -43.87 -68.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -46.71 -54.95 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.513 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 10.1 tt -41.28 -33.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.8 t -90.62 -47.85 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.7 -5.73 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 20.7 t80 -97.35 -45.41 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.63 -34.76 65.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -51.0 -17.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -110.81 -23.36 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.434 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 3.6 m-80 -111.34 112.08 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 t -53.69 128.0 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 16.5 mt -60.74 -11.27 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.52 -41.2 84.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.5 m -94.99 -56.78 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.41 101.87 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -19.64 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -74.59 -53.7 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.8 mt -78.77 99.81 6.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.76 35.41 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.2 t -157.67 151.94 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 164.09 12.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.563 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 30.8 mt -46.19 109.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.447 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.4 mt-30 -88.66 -51.43 5.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.0 m-85 -143.17 136.89 14.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.425 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.8 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -38.99 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -87.01 -66.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.425 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.2 pt-20 -175.18 151.45 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -175.55 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -150.66 154.58 37.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -101.96 -63.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -47.87 119.56 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.3 p -92.77 116.93 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.8 tp -158.79 132.63 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.0 m -132.2 108.43 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -166.28 163.17 17.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.7 t 71.55 45.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.17 64.96 0.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.85 36.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -96.21 121.97 38.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.2 m -111.15 -58.38 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.206 -0.775 . . . . 0.0 112.462 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -120.35 144.94 47.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -82.04 123.01 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -171.1 160.61 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.0 59.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -107.35 -19.5 13.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.851 0.357 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.04 143.96 30.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -107.78 143.25 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 162.22 42.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -73.22 122.96 22.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -40.52 14.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.47 -52.21 65.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.42 ' C ' ' OE1' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -77.62 96.29 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -112.47 42.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -56.08 133.1 51.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.84 -143.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m -153.6 174.72 14.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 p -82.46 -52.85 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . 45.65 -116.31 1.98 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.524 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER 34.35 33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -150.74 151.67 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -164.64 130.9 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.42 144.46 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -161.9 142.16 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -131.2 162.17 30.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -124.77 106.66 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -129.45 39.4 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -88.77 95.34 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -112.25 44.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.01 63.88 4.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 154.02 68.18 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.372 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.2 Cg_endo -69.72 -175.75 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' PRO . 51.1 tt0 -36.92 109.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -138.42 154.73 48.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.9 mt -43.31 -25.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.0 t -47.12 -41.47 17.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.9 m -41.52 -32.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 92.1 m-70 -78.33 146.1 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tp -57.51 -11.3 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.532 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 20.6 p-90 -130.09 127.47 39.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -148.78 153.21 37.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.529 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.5 111.11 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . . . -57.76 -151.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.69 2.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.463 ' CE ' HD11 ' A' ' 41' ' ' ILE . 41.5 ttp -38.6 137.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -90.45 174.6 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.538 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.6 tmm_? -44.64 -66.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.58 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.47 -36.59 93.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.84 -57.9 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 111.119 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 21.5 mt-10 -41.48 -43.23 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 41.0 t -51.78 -42.83 62.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.463 HD11 ' CE ' ' A' ' 33' ' ' MET . 91.1 mt -65.79 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.465 ' HB3' ' CB ' ' A' ' 67' ' ' LYS . 0.1 OUTLIER -53.28 -18.58 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -69.2 -33.19 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 40' ' ' SER . 62.9 m-80 -93.64 -38.16 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 45' ' ' ARG . 2.1 mmt180 -61.47 -175.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -77.62 172.79 12.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.73 114.67 13.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.16 1.65 18.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 31.9 m -64.57 158.93 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.583 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 24.0 p90 -153.17 170.74 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 pp -160.82 174.45 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.529 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 2.8 t -129.47 115.21 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptt-85 -119.45 156.72 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.2 tt0 -100.53 158.93 15.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 26.1 mtt180 -94.61 167.48 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.96 -36.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -53.33 -53.0 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -130.32 118.89 21.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.86 -60.6 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 74.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 0.7 OUTLIER -168.92 147.7 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -141.75 176.49 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.15 156.89 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.78 103.94 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.7 t -99.94 136.51 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.46 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -142.01 145.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.465 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 7.7 tptm -94.52 133.31 38.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -174.11 142.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.3 t-20 63.88 50.58 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.4 m 46.67 24.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -151.37 137.5 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.5 t -91.09 121.64 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.49 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 9.7 mttt -95.18 172.06 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.538 ' CE1' ' HG2' ' A' ' 35' ' ' ARG . 6.4 m-70 -150.07 140.72 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.415 ' C ' ' HD2' ' B' ' 7' ' ' PTR . 57.9 mt -124.38 135.69 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.422 ' C ' ' HD2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -95.73 138.42 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 70.5 mt -108.28 137.62 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mtm -112.44 146.63 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.7 p -138.02 135.67 36.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.6 -66.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.13 46.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.64 29.3 63.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -122.75 151.09 41.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -116.73 126.8 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -161.51 138.95 8.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.461 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 5.8 pt -93.78 -19.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.5 p -133.57 155.75 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.63 -37.94 85.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -65.68 -57.74 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -83.32 150.33 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.479 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -154.32 161.3 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.502 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 3.2 m-85 -142.4 168.66 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -88.32 -44.47 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.511 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.96 156.04 24.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.512 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 11.5 tp -50.38 -41.34 51.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.4 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 87.1 m -51.9 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 8.6 mm-40 -45.66 -41.41 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.502 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 5.3 tt -56.77 -37.75 71.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 118' ' ' LEU . 98.1 t -83.69 -51.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.17 -5.58 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CE2' ' OD1' ' A' ' 105' ' ' ASN . 83.1 t80 -95.84 -47.35 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.522 ' CG ' HD22 ' A' ' 107' ' ' LEU . 2.3 m-85 -54.23 -36.8 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -52.19 -20.59 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.0 -31.93 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.566 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -111.37 111.73 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -50.1 135.13 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.522 HD22 ' CG ' ' A' ' 102' ' ' TYR . 12.8 mt -57.8 -21.18 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 7.5 ptmt -57.63 -19.91 29.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -55.95 -40.86 73.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.3 m -100.47 -50.14 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.461 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 40.6 m-85 -91.7 157.49 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -98.06 -40.16 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.0 t -65.64 -47.96 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.469 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 7.7 mt -74.33 96.17 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 11.7 t70 -96.42 25.21 5.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -143.59 178.72 7.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -137.17 172.37 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.583 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 65.3 mt -46.44 108.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.455 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 37.6 mm-40 -90.56 -47.46 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.61 135.6 13.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.456 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.4 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.237 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -61.43 -50.96 70.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.409 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 20.3 mttp -70.7 -70.27 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -175.53 152.57 1.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.872 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 141.02 43.94 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -165.53 124.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 111.99 22.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -116.89 44.23 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 20.5 p 38.29 36.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.4 tp -52.47 142.56 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.3 t -114.25 146.04 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.36 126.37 27.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.7 p -93.42 128.24 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -48.36 139.96 10.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 157.62 59.62 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.316 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 90.2 p -124.35 144.15 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.6 t -154.38 141.27 19.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.503 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.35 -54.94 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -103.63 154.05 19.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -143.87 139.71 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.65 49.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -93.02 -33.49 14.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.438 ' N ' ' HD1' ' B' ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -48.94 134.22 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 m -100.48 139.91 21.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.678 0.751 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 156.04 64.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -68.88 124.51 23.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -90.88 -39.74 12.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -67.05 -21.33 65.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -95.56 134.36 38.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -131.47 157.32 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.818 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -88.13 145.8 25.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.73 99.28 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -172.71 125.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -162.58 171.11 17.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.51 82.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' ALA . 19.1 ptpt -173.21 170.59 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -35.3 146.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.03 40.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.07 164.56 13.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -92.87 139.24 30.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -93.18 144.38 25.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -123.54 5.42 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -81.7 48.45 1.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -104.33 162.39 13.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -132.23 86.85 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.6 93.91 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 166.18 28.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 120.21 7.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.252 . . . . 0.0 112.401 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -74.32 153.13 39.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 23' ' ' LEU . 0.7 OUTLIER -76.26 104.53 6.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.519 HD11 ' CE1' ' A' ' 62' ' ' PHE . 18.1 mt -37.87 -35.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' VAL . 46.8 t -38.61 -49.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 24' ' ' SER . 34.4 m -37.86 -44.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.502 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 99.6 m-70 -64.86 146.88 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.61 -9.47 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.555 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 17.9 p-90 -132.17 128.41 37.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -148.04 151.81 36.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.34 111.0 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 33' ' ' MET . . . -63.37 -148.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.7 Cg_endo -69.7 8.56 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.503 ' C ' ' O ' ' A' ' 32' ' ' PRO . 5.5 tpp -28.56 140.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -98.44 172.35 7.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 3.3 tmm_? -39.49 -69.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.0 -32.98 82.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -64.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -40.09 -42.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -52.71 -45.2 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.1 mt -59.22 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.06 -27.34 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -57.33 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.05 -45.14 95.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -63.46 -177.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -67.04 169.45 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.31 120.57 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.66 6.13 25.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 50' ' ' PHE . 27.8 m -67.17 156.43 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 118' ' ' LEU . 30.2 p90 -149.88 171.45 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 pp -167.32 176.63 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.555 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 2.8 t -127.0 114.79 38.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -116.82 152.42 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 59.9 tt0 -96.73 160.51 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -93.66 157.06 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.28 -42.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -52.17 -46.85 65.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -131.48 115.37 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -44.6 -58.28 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.04 79.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -165.42 162.12 19.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.519 ' CE1' HD11 ' A' ' 23' ' ' LEU . 42.3 m-85 -160.2 169.16 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.71 154.08 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt -116.81 105.36 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -98.82 125.38 44.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.417 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -135.27 141.39 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 9.6 tptm -88.02 133.04 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -174.15 140.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.499 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 66.2 49.47 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.7 m 47.84 25.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.445 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 8.6 mm-40 -153.47 141.4 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 95.6 t -90.15 120.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -95.5 154.85 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 1.2 m-70 -136.99 136.37 38.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.471 ' CG2' HG21 ' A' ' 86' ' ' ILE . 4.5 mp -119.82 121.93 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.6 ttpm? -77.97 146.71 35.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.419 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 83.6 mt -121.48 127.27 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.6 mtm -92.86 154.0 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.2 p -149.83 142.07 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.84 -71.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -111.12 11.87 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.3 25.22 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.468 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 3.4 mm? -105.8 176.39 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 4.5 m-85 -150.81 124.34 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -162.16 141.34 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.471 HG21 ' CG2' ' A' ' 75' ' ' ILE . 6.4 pt -96.4 -17.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.5 p -144.33 158.0 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.16 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -60.62 -58.74 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -97.56 141.11 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.47 150.31 34.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.7 m-85 -123.68 173.12 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 6.0 ppt_? -99.2 -36.87 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.454 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -137.14 153.33 21.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.2 tp -53.93 -42.45 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.502 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 63.5 m -50.86 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -46.45 -45.29 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 10.3 tt -51.6 -34.1 35.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.519 HG11 ' CE2' ' A' ' 28' ' ' TRP . 68.1 t -88.49 -46.01 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.55 -4.93 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.606 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 92.8 t80 -96.83 -46.2 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -55.01 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -50.28 -21.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -109.17 -29.98 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.606 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 11.0 m-80 -107.11 109.67 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -56.19 133.24 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.5 mp -62.28 -8.83 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -66.46 -19.95 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.54 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.9 m -101.0 -52.58 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.412 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 21.0 m-85 -97.71 158.01 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.503 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -104.41 -16.3 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -78.99 -45.39 20.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.462 ' CD1' HD13 ' A' ' 75' ' ' ILE . 4.4 mt -90.9 100.31 13.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -96.72 29.59 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -147.47 166.1 28.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.69 163.7 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.552 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 31.5 mt -41.79 109.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.15 -50.78 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 2.0 m-85 -143.22 134.0 12.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.437 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.1 Cg_endo -69.75 -178.48 2.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.38 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.431 ' CE2' ' HG2' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -61.14 -50.79 71.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' CE2' ' A' ' 122' ' ' PHE . 1.7 mtpm? -71.74 -69.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 125' ' ' PRO . 1.8 pp20? -176.01 153.28 1.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.415 ' O ' ' CD ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.8 140.81 43.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.98 150.29 20.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 27.28 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -99.03 81.33 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.9 p -91.98 38.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.2 tp -53.14 -40.69 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 72.3 m 56.63 54.57 7.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -101.9 41.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.0 m -69.81 171.46 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -165.29 70.13 0.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -175.72 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.3 t 68.57 40.81 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.4 t -91.29 110.74 22.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.452 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -102.49 -57.5 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -115.15 145.91 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -169.25 130.15 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.04 91.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -117.62 -38.04 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.463 ' HD1' ' CA ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -63.91 132.97 52.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -98.52 142.29 24.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 140.44 42.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.503 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.2 m-20 -64.75 127.32 31.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' B' ' 14' ' ' GLU . 4.1 tm-20 -97.47 -58.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -40.95 -25.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 12' ' ' GLU . 4.6 mp0 -89.26 147.85 23.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 p -85.08 133.79 34.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -74.28 -46.14 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.66 93.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -96.61 130.95 43.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -68.07 -53.97 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.88 -98.49 1.51 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -58.95 132.09 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.38 173.69 7.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -88.73 139.18 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.57 113.63 26.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.55 153.14 40.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -156.28 113.58 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.4 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 17.8 p-10 -48.66 159.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' GLU . 47.1 m95 -130.87 -46.4 1.03 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' TRP . 9.6 p90 -34.92 -33.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' TRP . 55.1 mm-40 -75.99 71.94 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.86 98.54 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 154.99 67.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.3 Cg_endo -69.68 -164.25 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 2.261 . . . . 0.0 112.382 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' PRO . 14.4 tt0 -35.0 134.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -129.58 152.01 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 36.2 mt -53.07 -25.89 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.3 p -38.88 -40.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.42 HG22 ' N ' ' A' ' 26' ' ' HIS . 34.5 m -45.82 -45.46 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.42 ' N ' HG22 ' A' ' 25' ' ' VAL . 96.3 m-70 -62.11 151.41 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.84 -5.43 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.581 ' CZ3' HG22 ' A' ' 52' ' ' VAL . 20.6 p-90 -135.55 127.6 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -148.95 146.38 27.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.59 110.45 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.44 -154.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.78 3.17 2.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 25.2 ttp -33.48 141.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.7 pt-20 -81.34 155.39 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -37.42 -62.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -46.36 44.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -53.07 -39.31 57.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.47 54.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -40.75 -49.93 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.8 t -55.53 -42.83 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.0 mt -60.35 -63.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 49' ' ' THR . 5.8 mt -67.51 -5.17 13.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.98 -59.17 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.58 -46.88 88.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -49.82 -179.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -79.77 158.51 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -61.59 103.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.96 -0.83 3.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.514 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.498 HG21 ' N ' ' A' ' 50' ' ' PHE . 22.7 m -64.95 149.64 49.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 25.1 p90 -145.12 177.96 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -170.53 177.15 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.581 HG22 ' CZ3' ' A' ' 28' ' ' TRP . 2.3 t -121.04 116.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 mtm-85 -105.87 165.19 11.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 40.4 tt0 -129.72 156.06 44.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.8 tpt85 -97.2 158.03 15.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.7 -33.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -53.68 -45.96 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -136.37 113.95 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.56 -28.82 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.78 54.24 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -141.25 163.93 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 22.2 m-85 -160.22 167.64 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.27 157.45 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 63.6 mt -128.82 102.32 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.4 t -100.55 133.96 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.447 ' CD1' ' HB3' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -137.57 145.82 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.433 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.4 tptp -92.95 120.58 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.447 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 3.0 t80 -167.4 138.86 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.2 t-20 72.63 54.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.59 25.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASN . 14.8 mt-10 -156.66 137.6 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 86.7 t -87.4 123.48 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.592 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 14.8 mmtm -98.19 163.23 12.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.592 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.4 m-70 -152.67 137.2 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.446 ' CA ' ' HD1' ' B' ' 7' ' ' PTR . 5.1 mp -125.09 150.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -97.03 147.08 24.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 78' ' ' MET . 58.7 mt -113.18 156.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.4 ' N ' ' CG2' ' A' ' 77' ' ' ILE . 40.0 mtm -125.41 160.04 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.4 p -147.64 125.46 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.88 -74.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -115.5 15.55 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.77 14.04 3.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 2.5 mm? -97.39 179.79 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.493 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 2.0 m-85 -143.5 121.86 12.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -159.58 130.15 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 18.8 pt -84.29 -24.5 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.3 p -119.4 178.2 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -93.88 -27.18 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -76.51 -55.57 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 12.2 tppt? -85.86 149.51 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.415 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -150.05 159.95 44.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 10.0 m-85 -139.48 166.27 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -85.32 -44.39 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.482 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.63 154.9 24.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.491 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 55.6 tp -48.72 -45.35 39.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 m -49.18 -67.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -44.84 -52.49 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.1 tt -48.33 -35.06 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 88.1 t -82.27 -51.93 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -64.4 -5.37 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.514 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 73.6 t80 -97.61 -47.99 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.557 ' CD1' HD21 ' A' ' 107' ' ' LEU . 1.6 m-85 -52.79 -36.26 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.25 -17.99 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -104.39 -34.24 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.62 112.69 25.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -52.99 135.03 37.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.557 HD21 ' CD1' ' A' ' 102' ' ' TYR . 88.3 mt -59.21 -13.56 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -67.88 -18.69 64.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.28 -38.32 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.04 -38.12 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.459 ' CE1' ' HB3' ' B' ' 10' ' ' PRO . 2.9 m-85 -103.49 163.89 12.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -26.29 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.5 m -83.32 -42.73 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.477 ' CD1' ' OE2' ' B' ' 8' ' ' GLU . 28.7 mt -82.68 98.71 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -97.69 37.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -153.86 160.76 42.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.07 163.42 19.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 36.3 mt -43.97 110.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -93.48 -44.68 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.0 m-85 -147.42 138.97 13.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 54.1 Cg_endo -69.75 -169.84 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.757 2.305 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.617 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -71.36 -34.14 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -92.9 -65.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 14.1 pt-20 -175.18 153.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -175.39 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.726 2.284 . . . . 0.0 112.309 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -168.68 124.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -77.97 128.01 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -174.28 140.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.2 p -134.82 155.91 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.1 tp -174.19 148.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.4 p -141.01 113.12 7.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.423 ' HB2' ' NH1' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -113.9 169.7 8.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.3 p -127.78 151.27 49.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -169.7 90.06 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -3.08 11.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 137' ' ' SER . 62.2 p -57.72 -52.67 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 136' ' ' SER . 8.3 t -34.75 117.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.506 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -107.76 118.76 37.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -157.77 122.54 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.84 88.3 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.74 47.08 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -113.04 -39.49 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.446 ' HD1' ' CA ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.477 ' OE2' ' CD1' ' A' ' 114' ' ' LEU . 12.3 mt-10 -67.9 174.42 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -136.15 133.43 19.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.683 0.754 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.459 ' HB3' ' CE1' ' A' ' 111' ' ' PHE . 53.6 Cg_endo -69.79 174.3 9.73 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -70.41 116.44 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -94.81 -52.82 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -49.6 -43.78 46.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -96.2 108.15 20.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -156.07 173.02 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.819 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -154.0 174.1 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.49 -154.17 6.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -163.32 171.99 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.349 . . . . 0.0 110.898 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -147.51 163.79 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.06 -156.39 25.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -173.43 140.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.07 177.68 4.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -152.43 141.75 21.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.3 158.13 39.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -150.73 126.15 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -103.41 169.81 8.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.406 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 21.7 m-80 -148.48 129.4 14.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -133.83 42.98 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.417 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -98.8 94.48 6.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.88 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' GLY . 27.7 mp0 -120.58 81.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . 34.33 65.97 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 153.55 68.8 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.7 Cg_endo -69.77 -175.62 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PRO . 61.5 tt0 -34.61 134.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' SER . 23.9 t70 -143.39 141.33 30.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD11 ' CE1' ' A' ' 62' ' ' PHE . 19.5 mt -35.8 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ASP . 27.4 t -39.46 -46.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.2 m -40.18 -44.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.194 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -63.33 147.19 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.43 -10.3 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.504 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 15.3 p-90 -130.28 127.76 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -148.76 151.94 35.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.04 110.92 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.1 -151.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.3 Cg_endo -69.77 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.478 ' CE ' HD11 ' A' ' 41' ' ' ILE . 25.9 ttp -35.37 135.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -80.56 171.85 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.573 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -47.68 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.27 -39.69 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.42 -37.33 94.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.402 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -66.91 -61.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' ALA . 28.2 mt-10 -38.33 -51.98 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.8 m -43.08 -53.42 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.478 HD11 ' CE ' ' A' ' 33' ' ' MET . 76.5 mt -52.56 -70.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.421 HD11 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.74 -24.41 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.08 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.54 -41.75 90.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -66.42 -178.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 m -68.18 161.23 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.52 120.67 14.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.9 5.77 23.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 50' ' ' PHE . 16.7 m -65.53 157.85 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 18.8 p90 -155.31 167.44 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 pp -163.27 177.05 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.505 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 2.7 t -123.57 118.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -121.35 155.88 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.45 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 53.0 tt0 -102.53 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.45 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 10.1 mtt-85 -93.69 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 m -110.01 -36.55 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -50.07 -38.6 38.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 29.3 t70 -145.82 130.08 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.24 -56.47 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.17 75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -155.83 164.78 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CE1' HD11 ' A' ' 23' ' ' LEU . 27.6 m-85 -161.5 165.52 28.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.8 164.93 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.7 mt -134.48 115.36 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 m -111.41 130.99 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.458 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -137.06 144.7 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.5 tptp -90.49 126.55 35.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.483 ' CD2' HG23 ' A' ' 116' ' ' THR . 2.5 t80 -171.94 139.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.421 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 1.8 t-20 69.32 52.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.8 m 45.18 25.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -158.38 143.93 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 85.3 t -93.88 120.67 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -95.45 152.95 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.573 ' CE1' ' HG2' ' A' ' 35' ' ' ARG . 2.0 m-70 -131.95 147.81 52.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.464 ' N ' ' HD2' ' B' ' 7' ' ' PTR . 48.6 mt -132.01 136.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' HG22 ' A' ' 75' ' ' ILE . 25.5 ttpp -89.53 151.74 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.3 mt -125.81 145.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 30.3 mtm -121.66 161.86 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 41.1 p -157.21 115.33 3.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.33 -66.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -111.42 48.54 0.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.82 31.16 65.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -124.31 133.11 53.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.524 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 5.9 m-85 -102.74 125.57 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -161.98 140.4 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.481 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 6.6 pt -97.65 -16.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.7 p -141.04 161.08 38.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.81 -34.42 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -64.04 -50.58 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.3 tppt? -100.22 147.79 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -152.01 162.38 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -142.6 170.67 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -92.8 -44.13 8.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.524 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.04 151.78 21.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 21.2 tp -48.06 -49.3 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.937 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.6 m -41.87 -56.13 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -61.18 -49.35 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.7 tt -45.93 -35.15 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 118' ' ' LEU . 83.7 t -90.33 -39.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.68 -5.26 36.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.52 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 88.7 t80 -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.577 ' CD1' HD23 ' A' ' 107' ' ' LEU . 2.2 m-85 -53.23 -32.31 47.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -60.67 -11.34 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -112.75 -15.01 13.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -129.84 109.56 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.404 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 29.5 t -45.43 131.15 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 102' ' ' TYR . 17.9 mt -54.98 -19.45 6.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 8.1 pttp -57.59 -22.9 47.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.23 -43.6 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.435 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 63.8 m -96.47 -58.58 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.481 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 23.0 m-85 -87.35 160.41 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -47.03 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -57.0 -47.83 79.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.1 mt -79.72 99.89 7.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.408 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 3.8 t70 -102.2 31.23 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.483 HG23 ' CD2' ' A' ' 68' ' ' TYR . 14.2 t -146.17 155.16 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.404 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -111.56 165.81 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 52.1 mt -47.23 111.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.4 -51.74 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -142.13 136.7 15.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.432 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.75 -166.88 0.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.748 2.298 . . . . 0.0 112.341 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -73.86 -36.41 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -91.75 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.432 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 10.6 pt-20 -175.1 152.28 1.45 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.75 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.8 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -154.02 122.74 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -90.33 164.86 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 56.76 42.64 26.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 25.8 p -134.82 119.79 18.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 19.2 tt -153.69 123.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.1 p -118.3 125.81 50.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.535 ' NE ' ' H ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -130.26 146.65 51.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 51.0 m -157.97 179.49 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.05 72.44 0.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 137' ' ' SER . 47.7 t -167.46 126.16 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 136' ' ' SER . 43.6 t -35.01 102.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.513 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -81.3 45.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.35 145.68 29.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -122.76 88.64 2.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.5 50.15 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.7 -46.42 8.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.464 ' HD2' ' N ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -50.71 135.92 22.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -94.48 142.57 24.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.89 63.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 58.4 m-20 -69.38 141.34 54.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -98.12 -40.59 8.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -50.88 -47.52 60.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 15' ' ' GLU . 16.6 pt-20 -52.22 110.93 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 14' ' ' GLU . 3.2 tp10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -169.95 165.24 9.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -174.1 176.18 2.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.09 178.61 42.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -153.92 172.69 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -169.98 172.82 6.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.08 108.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.88 152.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.38 146.45 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -135.45 153.2 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.46 176.07 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -145.09 131.84 20.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.46 146.37 23.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -140.04 162.0 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -112.97 -46.06 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 166.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -132.36 82.57 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.26 84.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 166.31 28.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 179.14 3.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.32 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -61.7 154.89 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 24' ' ' SER . 1.3 m-20 -146.6 143.49 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.548 HD12 ' CE1' ' A' ' 62' ' ' PHE . 14.8 mt -42.91 -24.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' ASP . 56.1 p -48.66 -41.55 31.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -42.64 -30.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -80.06 151.84 29.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.0 tp -64.99 -8.6 16.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CE3' HG23 ' A' ' 52' ' ' VAL . 19.9 p-90 -132.4 127.75 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -148.46 147.78 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -152.63 110.43 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.88 -152.72 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.541 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.5 Cg_endo -69.78 6.28 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttm -29.68 137.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -173.52 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' NH1' ' ND1' ' A' ' 74' ' ' HIS . 13.1 tpp180 -61.45 -69.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.14 -27.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.47 -34.65 63.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -74.21 -62.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -41.85 -53.51 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.8 t -42.52 -55.11 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' CD1' ' HE3' ' A' ' 33' ' ' MET . 85.1 mt -48.74 -70.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.475 HD11 ' N ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.64 -14.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.14 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -60.23 -28.88 68.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -78.63 174.26 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -61.51 157.17 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -68.08 114.84 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.73 2.03 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.5 m -66.04 155.55 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CG ' HD21 ' A' ' 118' ' ' LEU . 32.5 p90 -151.32 166.96 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 pp -161.65 175.85 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' CE3' ' A' ' 28' ' ' TRP . 2.5 t -123.54 112.99 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -107.24 168.85 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 42.2 tt0 -131.16 154.15 48.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.444 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.1 ptm180 -94.0 171.52 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 m -104.59 -29.23 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -59.24 -59.0 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -120.15 110.07 16.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.62 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.76 75.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 62' ' ' PHE . 5.4 tm-20 -169.78 170.13 8.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' A' ' 23' ' ' LEU . 33.0 m-85 -163.08 173.66 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.461 ' N ' HD13 ' A' ' 77' ' ' ILE . . . -149.84 163.98 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 70.6 mt -135.59 107.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 m -106.56 131.4 53.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.469 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -139.59 144.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 12.1 tptm -91.0 133.15 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.44 ' CG ' HG22 ' A' ' 116' ' ' THR . 2.0 t80 -175.58 134.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.474 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.7 t-20 71.24 55.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.529 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 1.0 OUTLIER 40.63 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' ASN . 8.2 mt-10 -156.0 133.23 10.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.1 t -87.16 125.01 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.556 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 35.5 mmtt -101.44 164.26 11.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -147.41 145.2 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.439 ' CG2' HG23 ' A' ' 86' ' ' ILE . 51.7 mt -129.75 123.37 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.417 ' HB2' ' CD2' ' B' ' 7' ' ' PTR . 25.1 ttmt -83.4 130.61 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.461 HD13 ' N ' ' A' ' 63' ' ' ALA . 25.3 mt -98.59 156.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 27.8 mtm -132.44 146.2 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.6 p -136.33 138.08 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.08 -74.88 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -108.4 47.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.05 30.58 50.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.7 mt -124.88 144.16 50.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.56 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 2.9 m-85 -113.51 127.76 56.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -161.95 144.36 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.488 HD11 ' CZ ' ' A' ' 111' ' ' PHE . 7.6 pt -102.98 -13.92 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.3 p -141.37 160.19 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -74.69 -32.19 62.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -61.72 -59.93 4.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 8.4 tppt? -98.58 147.85 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.463 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -144.6 154.65 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -131.71 171.91 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 4.5 ppt_? -98.43 -35.18 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.56 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -144.57 155.22 26.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.56 -39.4 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.929 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -50.1 -55.66 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.82 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.9 tt -49.13 -28.84 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 90.2 t -92.96 -43.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.99 -5.47 35.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.511 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 79.7 t80 -97.38 -50.76 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.562 ' CE1' HD22 ' A' ' 107' ' ' LEU . 1.6 m-85 -53.32 -32.59 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 36.4 mt-30 -59.47 -12.53 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -112.75 -15.53 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -130.12 109.02 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.425 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 7.7 t -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.562 HD22 ' CE1' ' A' ' 102' ' ' TYR . 9.2 mt -58.09 -16.88 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -59.19 -16.86 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -59.26 -36.91 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 64.3 m -104.39 -58.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.488 ' CZ ' HD11 ' A' ' 86' ' ' ILE . 23.1 m-85 -87.18 158.49 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.1 -42.87 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -57.24 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 mt -77.05 96.18 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.48 23.12 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.44 HG22 ' CG ' ' A' ' 68' ' ' TYR . 15.3 t -136.18 -177.28 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -138.76 171.01 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.511 HD21 ' CG ' ' A' ' 50' ' ' PHE . 48.1 mt -50.51 107.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.421 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 60.9 mt-30 -89.99 -48.49 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.487 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-85 -143.97 136.54 13.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.461 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.77 -171.25 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -69.77 -52.4 25.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -67.72 -70.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 3.5 pt-20 -175.17 151.68 1.37 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 129.18 17.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -166.29 113.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -103.04 80.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -174.3 118.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 73.4 p -77.59 91.86 4.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.9 tt -131.33 -41.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 2.4 t -113.26 101.53 9.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.424 ' HD2' ' C ' ' A' ' 132' ' ' ARG . 4.4 ppt_? -97.86 -29.37 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -79.52 110.64 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -109.48 -156.19 16.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.432 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -175.87 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.9 t -160.83 109.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.1 t -122.68 173.25 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.438 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.92 41.75 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.881 0.372 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.11 93.94 9.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -150.79 136.27 17.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.68 81.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.545 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -69.78 -40.57 75.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.446 ' HD2' ' N ' ' B' ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -45.24 148.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -107.26 141.02 22.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.21 53.4 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.283 . . . . 0.0 112.314 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 25.4 m-20 -63.72 114.43 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -78.08 -38.8 43.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -47.77 -54.05 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.4 140.23 57.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -127.55 163.23 24.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -60.86 170.67 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.74 121.45 1.47 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -165.51 134.62 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -152.06 134.45 15.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 130.08 6.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -136.04 125.47 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.14 161.13 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.24 129.17 29.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.27 152.99 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -148.14 145.41 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -157.7 118.54 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -126.68 80.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -124.5 72.94 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -125.62 -21.14 4.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.21 96.11 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.48 -73.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 169.01 19.84 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.75 -169.29 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' PRO . 45.1 tt0 -36.27 139.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -141.46 149.9 41.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 mt -40.62 -30.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 m -40.21 -44.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.4 m -43.91 -46.38 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -61.94 146.03 51.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.34 -9.49 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.577 ' CZ3' HG22 ' A' ' 52' ' ' VAL . 16.0 p-90 -131.52 128.36 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -148.43 140.57 24.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.49 110.09 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.66 -144.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.8 6.01 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.2 ttp -29.72 137.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.62 175.87 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HD3' ' CD ' ' A' ' 39' ' ' GLU . 5.7 tmm_? -45.33 -68.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.92 -30.28 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.92 -27.72 73.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.65 -60.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 23.8 mt-10 -43.7 -43.97 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -53.0 -37.35 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -69.69 -71.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -54.32 -21.52 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -72.27 -63.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.05 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -62.05 -37.37 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.34 -179.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 m -67.42 146.56 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.38 108.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.01 7.6 4.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.411 ' CG2' HD13 ' A' ' 42' ' ' LEU . 10.0 m -70.25 161.09 30.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 16.6 p90 -156.56 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 65' ' ' SER . 0.9 OUTLIER -163.57 177.2 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.577 HG22 ' CZ3' ' A' ' 28' ' ' TRP . 2.2 t -118.49 114.73 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -100.03 169.04 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.468 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 52.7 tt0 -133.42 157.58 45.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.0 mmt180 -94.0 161.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.3 m -106.8 -5.93 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -85.68 -47.35 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' ALA . 5.6 m-20 -135.08 102.87 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.44 -42.86 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.81 69.62 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -169.28 129.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -128.8 177.62 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.0 165.66 35.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.4 mt -129.99 118.65 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.435 ' HB2' ' CD1' ' A' ' 51' ' ' LEU . 50.4 m -113.2 117.28 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.44 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -130.35 141.01 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 15.1 tptm -87.32 137.4 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.519 ' CG ' HG23 ' A' ' 116' ' ' THR . 2.3 t80 -174.46 135.36 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.0 t-20 66.47 51.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.8 m 46.31 25.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 5.2 mm-40 -152.39 136.87 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.7 t -94.49 124.65 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.613 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 53.0 mmtt -100.24 170.82 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.613 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -150.58 141.41 22.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.429 HD13 ' CD2' ' A' ' 107' ' ' LEU . 26.2 mt -121.99 128.33 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -87.67 126.61 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -100.16 135.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.8 mtm -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.6 p -143.1 127.61 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.63 -69.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.52 47.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.94 63.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -123.58 139.55 53.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 0.5 OUTLIER -117.3 128.83 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -162.44 139.23 7.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.463 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 2.9 pt -90.79 -19.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.5 p -140.99 166.55 24.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -75.76 -26.35 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.0 -59.45 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -100.23 150.24 22.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.16 168.83 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.552 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 20.8 m-85 -140.44 169.53 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.39 -20.65 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.521 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -150.05 152.53 24.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.482 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.6 m -57.59 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -51.64 -45.87 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.552 ' HG ' ' CE1' ' A' ' 92' ' ' PHE . 7.5 tt -48.66 -42.76 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.4 t -79.83 -45.38 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.78 -5.66 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.519 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 43.2 t80 -96.92 -51.16 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 104' ' ' GLN . 2.3 m-85 -47.88 -47.29 31.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -43.2 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 102' ' ' TYR . 9.6 mt-30 -102.73 -35.81 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -104.84 114.15 28.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.1 t -61.92 136.09 57.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.429 ' CD2' HD13 ' A' ' 75' ' ' ILE . 7.5 mp -59.42 -10.42 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -64.85 -16.9 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.34 -47.81 46.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 40.6 m -95.11 -50.2 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.463 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 23.4 m-85 -95.73 123.31 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -15.34 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.2 m -78.22 -53.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.0 mt -82.87 114.71 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -105.34 24.43 12.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.519 HG23 ' CG ' ' A' ' 68' ' ' TYR . 13.0 t -141.31 163.89 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -115.13 174.18 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.574 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 1.8 mp -61.22 109.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.485 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 25.6 mm-40 -87.95 -49.2 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.2 m-85 -142.9 138.39 15.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.22 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -75.39 -40.17 58.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -85.03 -65.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -175.04 151.28 1.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 148.8 65.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -94.96 153.44 17.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 40.76 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -173.93 131.72 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.5 t -134.38 120.21 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.2 tp -122.78 45.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.0 p -86.73 125.71 34.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.417 ' HD3' ' N ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -126.74 -29.81 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 t -162.04 133.58 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -100.39 -164.2 28.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 95.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.7 t -89.33 137.99 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 98.1 p -165.37 174.97 9.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.514 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -138.45 141.36 39.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.48 121.1 43.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -120.32 103.28 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.34 60.24 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -93.84 -29.61 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.408 ' HD2' ' C ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -45.22 146.8 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -112.23 138.9 21.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 163.03 39.82 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -73.28 144.34 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -87.58 -44.55 11.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -43.73 -51.01 7.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.28 154.67 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -58.82 -50.49 73.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.896 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 p -104.09 94.9 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.18 139.33 3.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -96.32 166.7 11.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -94.95 -48.32 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.85 -170.17 23.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -149.58 158.18 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.322 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.16 152.83 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -165.7 137.24 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.18 174.48 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -46.88 167.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -134.05 -54.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -127.61 155.4 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -100.17 -49.9 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -44.41 169.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -130.59 85.08 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.76 74.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 118.15 5.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.8 Cg_endo -69.76 101.09 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' PRO . 74.3 mt-30 35.64 42.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LEU . 17.4 t70 -51.22 168.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.595 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 24.4 mt -51.39 -18.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -52.64 -37.51 58.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.7 m -51.7 -17.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.171 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -92.39 147.04 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' CD2' ' HB2' ' A' ' 126' ' ' GLU . 7.0 tp -59.31 -9.61 2.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.564 ' CZ3' HG23 ' A' ' 52' ' ' VAL . 12.3 p-90 -131.87 127.65 36.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.65 146.11 28.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.518 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -151.31 110.56 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.4 -155.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.79 4.76 2.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.472 ' C ' ' O ' ' A' ' 32' ' ' PRO . 8.1 ttp -32.53 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -85.5 174.43 9.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 8.1 tmm_? -55.16 -61.69 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -32.51 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -72.13 -30.16 65.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.91 -63.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.075 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -38.24 -53.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.8 t -45.39 -52.17 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' CD1' ' HE3' ' A' ' 33' ' ' MET . 34.3 mt -48.05 -70.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 HD11 ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.98 -26.96 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.07 -62.2 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -49.8 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -175.22 -176.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.83 104.23 16.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.81 -1.58 9.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 50' ' ' PHE . 10.2 m -64.94 160.25 21.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.549 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 21.0 p90 -152.91 168.52 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 pp -161.18 177.11 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.564 HG23 ' CZ3' ' A' ' 28' ' ' TRP . 2.5 t -123.94 117.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' NH2' ' O3P' ' B' ' 7' ' ' PTR . 8.8 mtm-85 -108.53 164.2 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.463 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 53.1 tt0 -115.39 159.99 20.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.463 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 ttm180 -93.72 172.7 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 -33.42 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.45 -46.68 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.468 ' CB ' ' OE1' ' A' ' 61' ' ' GLU . 20.3 m-20 -142.48 131.75 23.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.4 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . . . -78.48 57.72 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' OE1' ' CB ' ' A' ' 58' ' ' ASP . 17.1 mp0 -151.22 161.53 42.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.595 ' CE1' ' CD1' ' A' ' 23' ' ' LEU . 38.2 m-85 -162.85 175.04 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.82 164.08 38.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.7 mt -134.95 100.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 32.1 t -93.97 141.83 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.46 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -146.92 144.41 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.5 tptp -92.79 132.9 36.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.562 ' CD2' HG21 ' A' ' 116' ' ' THR . 5.4 t80 -175.15 137.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 1.9 t-20 66.21 52.21 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.456 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.25 24.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -154.17 138.04 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.5 t -97.14 119.38 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HG3' ' CG ' ' A' ' 114' ' ' LEU . 24.0 mmtt -95.44 167.72 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.415 ' HB2' ' CD1' ' B' ' 7' ' ' PTR . 12.3 m-70 -137.77 140.66 40.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.49 HG12 ' CG ' ' B' ' 8' ' ' GLU . 7.8 mt -121.39 115.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -78.34 141.54 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -113.57 131.43 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 31.9 mtm -104.09 148.95 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 p -144.64 131.73 20.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.06 -58.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -116.65 44.24 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.52 31.29 61.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.8 mt -123.7 145.42 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 2.3 m-85 -114.15 121.51 43.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -154.0 141.74 20.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.522 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 2.1 pp -101.67 -13.23 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.456 HG21 ' CD1' ' A' ' 86' ' ' ILE . 1.4 p -148.81 127.03 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -42.77 -24.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 87' ' ' THR . 25.3 mmmt -68.66 -51.5 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 5.6 tppp? -100.61 146.78 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.476 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -148.86 134.23 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.539 ' N ' ' CD1' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -116.22 172.66 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.57 -31.67 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.02 141.94 9.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.513 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 47.5 tp -43.93 -42.63 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.3 m -44.75 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.11 -51.98 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.518 ' HA ' ' CE2' ' A' ' 92' ' ' PHE . 6.1 tt -43.93 -37.71 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 93.0 t -85.68 -47.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.2 -5.24 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.526 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 75.6 t80 -97.23 -49.56 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.5 m-85 -53.04 -31.6 42.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -60.55 -11.24 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.04 -14.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -130.38 109.81 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -45.97 134.11 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.572 HD23 ' CE1' ' A' ' 102' ' ' TYR . 14.1 mt -60.37 -15.85 29.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -56.12 -22.46 28.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.96 -31.62 41.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 13.3 m -120.85 -48.68 2.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' B' ' 8' ' ' GLU . 2.7 m-85 -92.18 85.5 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -41.49 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -57.49 -54.21 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.417 ' CG ' ' HG3' ' A' ' 73' ' ' LYS . 5.9 mp -79.72 100.25 7.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -96.79 34.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.562 HG21 ' CD2' ' A' ' 68' ' ' TYR . 13.9 t -141.2 157.33 45.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.65 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.549 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 60.4 mt -43.12 109.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.87 -51.99 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -142.32 138.66 16.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.411 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.75 -166.44 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -72.77 -51.8 17.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.409 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 33.0 mttt -69.86 -69.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.87 150.76 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 144.49 54.41 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.468 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 22.7 mm-40 -152.28 165.32 35.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.82 171.43 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -154.69 130.97 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.8 p -106.2 41.35 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.4 tp -50.38 -36.91 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.3 p -151.63 162.89 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -92.27 -49.8 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.7 m -148.64 139.26 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -162.81 114.32 0.6 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.34 50.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.386 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 91.9 p -102.35 152.33 21.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 34.3 p -104.66 -44.53 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.516 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -125.35 157.84 35.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -101.76 114.77 29.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -84.87 -43.29 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 50.3 65.6 2.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -95.43 -39.03 10.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.422 ' O3P' ' NH2' ' A' ' 53' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.565 ' HG2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -41.83 163.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -134.98 133.38 20.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 177.17 5.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -91.57 122.8 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -85.72 -31.86 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.92 -67.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -43.14 113.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 m -57.12 150.87 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -109.65 174.4 5.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.88 -142.33 8.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -44.04 116.63 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 58.5 41.96 21.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.75 98.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -135.8 163.24 30.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.54 134.72 54.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -148.6 166.46 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.64 144.83 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 40.7 mt-10 -123.27 100.32 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 28.1 mt-30 -164.32 178.07 7.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -39.83 121.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.429 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 8.6 p-90 -117.67 31.42 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.2 p90 -120.57 122.56 40.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -155.4 104.99 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.09 63.66 0.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 164.44 34.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.75 -166.52 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' PRO . 25.4 mt-30 -36.13 112.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 24' ' ' SER . 23.7 t0 -134.92 161.73 34.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.437 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 20.1 mt -43.77 -22.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 22' ' ' ASP . 36.6 p -45.74 -43.48 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -42.67 -40.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -69.02 152.5 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.7 tp -66.2 -3.45 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.573 ' CE3' HG23 ' A' ' 52' ' ' VAL . 13.6 p-90 -138.0 127.27 24.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -149.6 145.06 26.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.39 109.89 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -154.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.77 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.1 ttp -31.24 143.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.78 160.69 28.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 7.3 tmm_? -43.47 -62.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -31.53 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -64.88 -34.19 89.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' O ' ' CD2' ' A' ' 42' ' ' LEU . . . -77.24 -60.66 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -38.12 -57.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -49.57 -46.62 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 89.7 mt -55.62 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' CD2' ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -49.65 -17.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.24 -63.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -61.82 -25.88 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -176.1 169.46 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.93 97.68 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.41 4.76 5.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -72.48 153.86 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 10.9 p90 -148.25 169.23 20.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' N ' HD21 ' A' ' 51' ' ' LEU . 1.1 pt? -162.83 177.26 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.573 HG23 ' CE3' ' A' ' 28' ' ' TRP . 2.7 t -120.82 117.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HA ' ' HB1' ' A' ' 30' ' ' ALA . 4.9 mtm105 -105.01 170.06 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.411 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 43.1 tt0 -128.76 158.88 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 tpt180 -96.22 150.17 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.427 HG22 ' N ' ' A' ' 57' ' ' LYS . 18.6 m -86.77 -40.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' N ' HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -44.51 -52.36 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.17 137.65 26.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.68 41.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.21 42.61 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 19.7 mp0 -158.15 175.34 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.437 ' CG ' ' O ' ' A' ' 61' ' ' GLU . 60.9 m-85 -162.24 176.12 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.06 164.37 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mt -133.1 101.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.436 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 70.0 m -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.437 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -137.93 143.04 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.437 ' N ' HG12 ' A' ' 66' ' ' ILE . 20.1 tptm -88.51 128.63 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CZ ' ' OD1' ' A' ' 115' ' ' ASP . 1.0 OUTLIER -164.72 136.89 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.2 t-20 62.85 52.66 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.43 25.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.46 132.49 15.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.6 t -92.07 118.49 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.53 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.1 mmtt -94.38 172.11 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.53 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -148.89 139.06 22.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.446 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.2 mp -120.74 130.67 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -85.05 136.23 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.9 mt -108.47 131.95 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.5 mtm -104.15 154.83 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 20.5 p -151.09 134.78 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.0 -68.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -110.43 49.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.98 27.79 68.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 64.8 mt -117.89 145.71 44.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.325 . . . . 0.0 110.973 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.438 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 8.0 m-85 -117.77 124.05 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -160.82 139.37 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.515 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 2.6 pp -101.23 -13.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.46 ' CG2' HD11 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -148.48 125.87 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -44.19 -28.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -56.78 -53.32 59.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.502 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 29.7 tptt -113.74 140.59 48.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.06 44.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 1.6 m-85 -122.91 168.94 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -87.11 -49.02 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.438 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -132.58 153.45 20.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 59.8 tp -50.65 -41.78 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.938 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.2 m -48.34 -62.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.32 -53.87 38.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.573 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 6.7 tt -43.12 -38.8 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.451 HG13 ' CD1' ' A' ' 118' ' ' LEU . 85.7 t -81.6 -46.6 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.62 -5.33 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -96.23 -47.94 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.42 ' CD1' HD23 ' A' ' 107' ' ' LEU . 1.7 m-85 -53.53 -44.25 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -44.31 -21.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.1 mp0 -106.93 -28.71 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -111.09 112.22 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 t -48.47 131.38 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 116' ' ' THR . 8.8 mt -52.57 -15.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -62.84 -23.59 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.27 -41.81 63.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.8 m -99.45 -59.43 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 50.7 m-85 -84.59 168.71 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -101.83 -59.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -47.86 -53.9 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.81 103.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.55 ' OD1' ' CZ ' ' A' ' 68' ' ' TYR . 0.6 OUTLIER -104.0 14.33 30.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.449 ' O ' ' CD1' ' A' ' 107' ' ' LEU . 13.4 t -136.71 156.51 48.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.99 166.9 10.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.559 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 43.4 mt -45.78 112.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.37 -51.69 5.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -140.36 134.62 15.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 178.92 4.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.451 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 1.2 t80 -59.63 -48.95 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.451 ' HG2' ' CD2' ' A' ' 122' ' ' PHE . 14.5 mtpt -72.32 -70.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.488 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 6.1 pt-20 -176.15 152.58 1.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.24 39.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.294 . . . . 0.0 112.332 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -86.65 166.26 15.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -109.6 139.16 44.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -174.84 153.83 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.0 p -141.44 140.56 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 12.9 tt -174.74 144.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.4 t -106.95 -63.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.6 ttm-85 -57.53 139.54 53.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.8 m -97.9 43.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.08 -154.22 40.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 179.38 3.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.0 p -130.03 -31.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.7 t -104.91 106.53 17.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.476 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -89.35 94.84 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -101.57 85.26 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -43.19 -55.27 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.01 75.23 2.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -126.61 -43.07 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.761 0.315 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.413 ' HD1' ' C ' ' A' ' 74' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -53.77 142.36 23.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -101.34 135.61 19.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 155.23 66.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.508 ' ND2' ' C ' ' A' ' 111' ' ' PHE . 7.2 m-80 -54.14 131.41 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 13' ' ' GLU . 4.3 pt-20 -39.05 -57.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 12' ' ' GLU . 32.1 mm-40 -37.31 -45.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.77 95.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t 56.89 42.64 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -159.43 148.13 17.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.38 106.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -59.9 173.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.385 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -151.07 112.68 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.99 -176.79 32.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -126.13 146.52 49.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.32 169.21 13.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -93.61 42.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 53.67 42.54 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -111.03 102.92 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -131.77 54.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -85.76 12.76 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -80.13 42.93 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 95.72 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -115.23 85.97 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.73 70.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 129.91 18.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.54 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -38.4 103.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -132.16 162.89 29.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.568 ' CD1' ' CE1' ' A' ' 62' ' ' PHE . 27.3 mt -53.28 -20.82 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 p -52.86 -35.6 57.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.0 m -50.01 -27.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -81.92 153.12 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.96 -3.68 7.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.578 ' CZ3' HG23 ' A' ' 52' ' ' VAL . 19.9 p-90 -137.44 127.59 26.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -149.68 145.77 26.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB1' ' O ' ' A' ' 52' ' ' VAL . . . -153.98 110.57 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.07 -151.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.0 Cg_endo -69.69 4.31 2.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.458 ' C ' ' O ' ' A' ' 32' ' ' PRO . 12.6 ttp -32.72 133.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.1 pt-20 -69.82 154.19 42.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.4 tmm_? -34.97 -64.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.65 28.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -47.56 -34.59 9.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -79.29 -51.17 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 43' ' ' ALA . 41.1 mt-10 -38.49 -54.1 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -50.97 -50.15 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.2 mt -54.51 -59.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.408 ' CB ' ' HB2' ' A' ' 67' ' ' LYS . 6.5 mt -70.79 -14.59 62.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -76.91 -62.51 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -58.32 -42.25 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.413 ' N ' ' HD2' ' A' ' 45' ' ' ARG . 1.6 mpt_? -60.21 -174.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -78.0 147.44 34.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.21 104.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.67 -1.83 2.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.4 ' C ' HD23 ' A' ' 42' ' ' LEU . 17.6 m -66.42 156.87 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.122 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CZ ' ' OE1' ' A' ' 103' ' ' GLN . 17.9 p90 -149.81 175.22 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -170.18 177.44 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.578 HG23 ' CZ3' ' A' ' 28' ' ' TRP . 2.4 t -123.14 105.27 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 12.1 mtm105 -96.88 169.2 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 29.8 tt0 -126.89 155.15 43.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.495 ' NE ' ' O1P' ' B' ' 7' ' ' PTR . 39.1 mtt-85 -93.85 156.04 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.0 -35.62 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -45.77 -46.91 15.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -152.77 119.42 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.0 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.05 47.31 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.03 141.7 16.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.568 ' CE1' ' CD1' ' A' ' 23' ' ' LEU . 42.5 m-85 -129.77 173.19 10.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.03 141.58 19.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.427 HD13 ' CD2' ' A' ' 98' ' ' LEU . 49.2 mt -107.25 108.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -105.82 118.48 36.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.416 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -126.53 142.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.416 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.2 tptm -91.75 125.2 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CG ' HG22 ' A' ' 116' ' ' THR . 2.2 t80 -162.76 134.96 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.406 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.0 t-20 71.62 52.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.1 m 44.45 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -149.14 136.32 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.505 HG11 ' CE1' ' A' ' 74' ' ' HIS . 97.6 t -89.95 124.92 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 47.5 mmtt -106.18 162.97 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.505 ' CE1' HG11 ' A' ' 72' ' ' VAL . 1.0 OUTLIER -148.0 144.88 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.567 HD12 ' CD2' ' A' ' 111' ' ' PHE . 36.9 mt -129.91 135.03 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -85.25 128.45 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.407 ' CD1' HG13 ' A' ' 64' ' ' ILE . 41.8 mt -104.29 132.17 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 69.4 mtm -96.26 164.41 12.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -137.17 136.45 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -137.71 109.82 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 48.8 45.69 21.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.63 53.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 30.2 mt -106.73 -179.69 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 27.9 m-85 -152.87 120.6 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -158.35 136.42 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.465 HD13 ' CG2' ' A' ' 87' ' ' THR . 2.7 pp -99.15 -11.97 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.465 ' CG2' HD13 ' A' ' 86' ' ' ILE . 8.1 p -144.21 136.59 26.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.44 -21.48 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -79.01 -52.55 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -89.7 151.99 21.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.566 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -155.31 156.58 35.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CE1' ' HG3' ' A' ' 90' ' ' LYS . 1.2 m-85 -143.26 173.98 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -95.49 -38.82 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.521 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.84 153.71 22.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.521 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 62.7 tp -51.47 -48.56 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -46.77 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.408 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 6.6 mp0 -41.47 -45.14 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.2 tt -55.52 -42.46 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.476 HG13 ' CE2' ' A' ' 28' ' ' TRP . 96.8 t -77.43 -53.67 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.64 -6.88 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 48.8 t80 -94.62 -49.94 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.45 -38.12 65.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.626 ' OE1' ' CZ ' ' A' ' 50' ' ' PHE . 3.5 mt-30 -52.7 -15.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.91 -31.29 7.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 3.6 m-80 -104.45 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -56.63 123.12 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 75' ' ' ILE . 8.4 mp -55.26 -17.27 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.47 -21.31 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.35 -33.99 70.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.35 -60.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.567 ' CD2' HD12 ' A' ' 75' ' ' ILE . 77.5 m-85 -99.53 92.4 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.44 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -46.29 -22.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.2 m -66.48 -52.26 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.12 91.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -85.94 39.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.517 HG22 ' CG ' ' A' ' 68' ' ' TYR . 13.7 t -155.45 159.64 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -112.18 170.89 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mp -57.51 111.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.531 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 33.9 mm-40 -88.99 -47.58 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.7 m-85 -145.7 137.81 13.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.416 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.76 -168.09 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.1 -36.1 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -90.05 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.416 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.5 pt-20 -174.75 149.81 1.31 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -173.9 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -158.12 144.01 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -98.48 -59.17 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -42.93 137.31 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.402 ' C ' HG13 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -158.48 145.74 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 129' ' ' THR . 2.3 mt 58.27 51.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.8 m -79.51 -44.26 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -138.37 139.52 39.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 25.5 p -114.28 136.46 52.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 124.23 106.39 1.7 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -39.67 6.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.9 m -129.06 139.95 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.5 t -106.29 114.55 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.485 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.99 82.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -167.71 152.33 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.59 128.64 41.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.35 72.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.87 -31.9 25.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.495 ' O1P' ' NE ' ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -46.22 155.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -108.38 128.93 24.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.34 63.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.44 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.4 m-20 -70.56 109.08 4.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.517 ' CD ' ' N ' ' B' ' 13' ' ' GLU . 2.8 pp20? -79.41 -56.68 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' B' ' 12' ' ' GLU . 8.2 pt-20 -42.94 -51.15 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -93.86 118.96 32.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 p -165.25 153.45 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 110.866 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -160.66 176.42 11.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.85 149.37 21.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -137.49 161.28 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -121.16 113.54 20.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.61 178.51 48.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -133.72 41.79 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.05 105.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -101.15 114.6 28.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.52 141.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.91 41.02 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -159.09 156.71 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -124.82 141.13 52.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.428 ' CG ' ' N ' ' A' ' 16' ' ' TRP . 12.5 p-90 -117.25 -41.9 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.455 ' N ' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -49.26 122.13 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.86 84.58 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.99 63.98 4.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 119.92 6.78 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 178.52 4.49 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.631 2.221 . . . . 0.0 112.358 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -85.2 33.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 62.3 m-20 -74.13 151.28 40.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD13 ' CE1' ' A' ' 62' ' ' PHE . 17.7 mt -44.95 -25.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -52.37 -46.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -39.95 -36.49 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -74.17 155.5 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.435 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.1 mt -69.24 -1.34 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.548 ' CE3' HG23 ' A' ' 52' ' ' VAL . 16.4 p-90 -139.0 125.99 21.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -150.88 147.3 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.97 109.5 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.35 -154.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.2 Cg_endo -69.68 6.55 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.6 ttp -34.41 152.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.37 175.25 8.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 7.4 tmm_? -54.47 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.471 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -46.44 -35.03 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.04 -30.5 77.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.538 ' CB ' ' CZ ' ' A' ' 53' ' ' ARG . . . -76.27 -66.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 17.9 mt-10 -41.64 -42.2 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 t -53.99 -44.67 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.464 HD11 ' CD2' ' A' ' 51' ' ' LEU . 81.0 mt -60.51 -71.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.467 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.0 OUTLIER -56.34 -13.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -82.66 -56.48 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -70.42 -32.32 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 7.1 mpt_? -74.08 176.15 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 m -56.58 163.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.76 120.62 21.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.11 6.06 24.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.473 HG23 ' N ' ' A' ' 50' ' ' PHE . 18.2 m -66.61 157.86 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 17.0 p90 -152.4 171.58 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 41' ' ' ILE . 1.8 pp -170.19 177.43 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.548 HG23 ' CE3' ' A' ' 28' ' ' TRP . 2.7 t -122.95 121.41 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.538 ' CZ ' ' CB ' ' A' ' 38' ' ' ALA . 3.3 ptp180 -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.459 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 50.4 tt0 -91.41 159.17 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 23.5 mtp180 -96.51 141.92 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.0 m -90.29 -37.77 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -45.47 -39.74 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -157.34 115.25 3.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.87 177.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 61' ' ' GLU . . . 60.68 48.6 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 40.6 mt-10 -163.67 122.94 2.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.408 ' CE1' HD13 ' A' ' 23' ' ' LEU . 53.0 m-85 -113.7 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.63 161.33 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 mt -128.71 108.25 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.0 m -101.44 125.68 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.463 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -132.16 145.7 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.511 ' HZ1' ' N ' ' A' ' 68' ' ' TYR . 11.4 tptp -91.69 126.38 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.511 ' N ' ' HZ1' ' A' ' 67' ' ' LYS . 4.4 t80 -169.95 143.88 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.44 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 66.42 52.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.7 m 45.91 25.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -156.85 152.17 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 88.3 t -97.32 123.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.506 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 62.5 mmtt -96.0 155.02 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.506 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.3 m-70 -142.61 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.467 HG23 ' N ' ' A' ' 76' ' ' LYS . 48.2 mt -126.89 141.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.467 ' N ' HG23 ' A' ' 75' ' ' ILE . 30.0 tttt -94.79 137.59 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 78' ' ' MET . 49.9 mt -108.02 138.26 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.414 ' N ' HG23 ' A' ' 77' ' ' ILE . 19.9 mtm -111.11 146.09 37.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.7 p -141.7 139.97 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.5 -71.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.9 48.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.16 62.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 14.7 mt -117.77 150.46 39.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 1.1 m-85 -121.89 124.93 45.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -159.0 129.9 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.457 HD13 ' CG2' ' A' ' 87' ' ' THR . 2.7 pp -88.89 -9.87 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.457 ' CG2' HD13 ' A' ' 86' ' ' ILE . 5.9 p -144.5 164.01 32.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -79.59 -35.73 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.4 -50.97 65.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.582 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 7.6 tmtm? -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.53 161.68 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 6.7 m-85 -130.94 171.98 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -94.96 -38.59 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.562 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.27 164.35 25.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.5 tp -58.77 -49.78 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 m -46.14 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -44.52 -52.79 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.552 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.6 tt -50.46 -28.93 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.471 HG11 ' CD1' ' A' ' 118' ' ' LEU . 55.7 t -87.58 -48.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.47 -5.25 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 89.3 t80 -94.91 -48.83 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.567 ' CD1' HD12 ' A' ' 107' ' ' LEU . 1.4 m-85 -54.14 -39.05 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.42 -21.15 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -108.99 -28.2 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.561 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 7.6 m-80 -110.96 112.1 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -55.28 141.41 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.567 HD12 ' CD1' ' A' ' 102' ' ' TYR . 10.1 mp -66.44 -12.76 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -67.37 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.94 -40.52 78.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.62 -42.24 6.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -101.35 169.92 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 -17.26 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 t -86.0 -35.72 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 mt -94.07 102.73 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.32 27.28 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -147.27 155.04 41.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.16 159.81 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.566 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 36.3 mt -39.6 105.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 43.5 mt-30 -85.52 -49.25 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 4.4 m-85 -145.2 133.89 10.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -164.03 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.73 -51.24 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.435 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 12.5 mmtt -56.68 -69.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -172.37 153.66 2.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 135.02 29.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -157.39 156.19 31.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.97 134.89 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -160.93 163.0 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.1 p -115.46 -52.99 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.5 mt -79.26 131.97 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 92.2 p -142.37 147.52 36.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -44.73 150.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.5 p -112.17 -48.9 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.07 81.43 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.47 6.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.0 t -58.0 97.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 138' ' ' GLY . 75.0 m -52.25 -43.78 64.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -109.63 131.21 55.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -91.63 171.52 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -99.26 -45.11 5.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.52 -126.7 1.04 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.1 -40.33 5.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -75.04 179.55 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 t -138.74 137.62 20.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.46 49.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -70.09 109.02 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -88.81 -50.55 6.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.17 -44.6 61.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -73.31 120.32 18.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -139.08 157.89 45.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -141.41 111.21 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.11 142.47 5.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -107.8 94.23 4.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -111.73 77.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.54 76.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' N ' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -174.68 161.2 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.21 68.76 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -141.06 120.19 12.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.19 173.65 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -93.99 112.03 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -104.48 -59.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.514 ' HB2' ' CD1' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -137.48 169.96 16.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -94.89 -61.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.514 ' CD1' ' HB2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -46.92 99.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -123.41 77.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.91 61.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.81 36.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.77 -165.56 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.6 tp-100 -36.5 98.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 24' ' ' SER . 0.6 OUTLIER -134.19 159.36 41.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.1 mt -44.51 -22.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 22' ' ' ASP . 35.1 p -49.61 -41.36 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.3 m -45.58 -28.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.123 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.425 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 98.4 m-70 -80.7 149.7 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.61 -8.57 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CZ3' HG22 ' A' ' 52' ' ' VAL . 20.9 p-90 -132.11 127.17 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -150.1 149.28 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 53' ' ' ARG . . . -154.02 110.79 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.423 ' C ' ' H ' ' A' ' 33' ' ' MET . . . -63.67 -156.11 0.13 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 8.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -34.59 152.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.21 175.63 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 18.5 tpp85 -53.22 -65.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -36.9 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.9 -34.35 89.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.504 ' CB ' ' CZ ' ' A' ' 53' ' ' ARG . . . -71.9 -66.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 24.7 mt-10 -41.54 -42.49 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -53.04 -42.39 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 90.2 mt -63.23 -72.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -56.48 -12.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -76.97 -63.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -64.5 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -179.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 m -65.57 169.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -79.02 120.92 24.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.19 9.49 23.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 50' ' ' PHE . 10.0 m -69.35 157.16 37.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' CG ' HD22 ' A' ' 118' ' ' LEU . 20.8 p90 -151.44 174.02 13.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 HD12 ' NH2' ' A' ' 53' ' ' ARG . 1.2 pp -169.91 177.28 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.579 HG22 ' CZ3' ' A' ' 28' ' ' TRP . 2.9 t -124.89 114.78 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' CZ ' ' CB ' ' A' ' 38' ' ' ALA . 2.6 ptp180 -121.0 142.44 49.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.4 tt0 -96.48 160.22 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' NE ' ' O2P' ' B' ' 7' ' ' PTR . 1.9 mmp_? -93.61 146.04 24.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -97.96 -31.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -39.0 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.73 105.48 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.06 173.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 71.51 31.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -149.81 119.5 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 54' ' ' GLN . 32.2 m-85 -110.84 172.94 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.15 149.46 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.5 mt -118.04 111.41 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.62 127.13 49.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.45 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -135.66 142.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.459 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 10.0 tptm -85.03 127.87 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.507 ' CG ' HG23 ' A' ' 116' ' ' THR . 2.9 t80 -167.18 141.91 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.5 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 64.18 50.81 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.92 25.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 4.0 mm-40 -154.61 146.99 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 92.4 t -93.07 120.69 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 56.1 mmtt -94.77 160.95 14.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -146.24 136.2 23.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.549 HG12 ' CE2' ' A' ' 111' ' ' PHE . 38.6 mt -120.54 142.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -93.67 135.64 34.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.439 HG21 ' N ' ' A' ' 78' ' ' MET . 67.9 mt -107.83 147.88 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.439 ' N ' HG21 ' A' ' 77' ' ' ILE . 14.4 mtm -125.29 153.61 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.4 p -145.45 136.81 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.87 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -117.77 45.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.61 22.34 53.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -116.77 135.96 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 3.6 m-85 -107.68 126.1 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -162.3 132.38 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.517 HD11 ' CZ ' ' A' ' 111' ' ' PHE . 5.6 pt -91.95 -18.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -136.85 161.24 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.55 -30.47 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -58.92 -55.02 40.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.572 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.2 tmtt? -110.18 140.01 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.467 ' N ' ' HD3' ' A' ' 90' ' ' LYS . . . -134.98 156.4 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.572 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 16.2 m-85 -128.81 174.59 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -25.95 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -143.36 128.91 3.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 94' ' ' GLY . 22.6 tp -36.53 -49.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.912 0.386 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.425 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 62.3 m -47.59 -59.82 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -50.69 -44.7 57.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.563 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.5 tt -55.15 -28.15 50.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 94.4 t -91.05 -50.96 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.05 -5.41 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 89.4 t80 -96.49 -50.53 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.572 ' CE1' HD23 ' A' ' 107' ' ' LEU . 2.5 m-85 -50.96 -39.88 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -49.16 -20.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -103.93 -32.03 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.505 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -110.93 111.91 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -49.81 133.65 21.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.572 HD23 ' CE1' ' A' ' 102' ' ' TYR . 12.7 mt -59.71 -20.74 58.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.5 pttt -55.6 -24.45 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -54.52 -29.82 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 77.8 m -113.53 -48.5 2.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.549 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.7 m-85 -102.55 94.42 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -23.95 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.3 p -69.11 -32.96 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.9 mp -101.77 101.36 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -92.0 29.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.507 HG23 ' CG ' ' A' ' 68' ' ' TYR . 14.8 t -142.34 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -136.83 172.02 13.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.53 HD22 ' CG ' ' A' ' 50' ' ' PHE . 36.2 mt -51.64 107.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.427 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 77.1 mt-30 -93.73 -47.18 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.5 m-85 -144.62 137.79 13.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.79 -166.61 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -76.25 -36.24 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -91.38 -64.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.418 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 0.5 OUTLIER -175.42 147.0 0.94 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 156.92 62.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.727 2.285 . . . . 0.0 112.373 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -116.69 136.91 52.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -110.29 90.48 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -171.62 124.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.2 p -94.95 107.07 19.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.5 tt -160.7 138.6 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.7 t -154.26 135.87 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -95.26 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.0 p -52.99 125.14 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -130.32 175.87 19.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.12 8.54 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t -158.25 149.22 20.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.3 t -53.45 -60.59 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.516 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -100.22 89.7 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -157.11 117.76 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -142.59 116.82 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.33 57.53 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -113.44 -44.13 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.489 ' O2P' ' NE ' ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -44.56 148.33 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -108.49 141.05 22.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 175.11 8.53 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -79.41 120.29 23.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -95.05 -24.59 16.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -28.81 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.506 ' N ' ' OE1' ' B' ' 14' ' ' GLU . 3.3 pm0 -39.03 -35.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.8 m -108.75 42.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -156.78 172.28 18.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.49 171.09 16.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -121.36 146.6 46.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -138.77 120.71 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.59 -173.04 42.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -117.97 139.82 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.82 171.56 19.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.49 116.49 24.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.36 144.27 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.84 139.87 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -152.36 134.25 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -111.37 108.11 17.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -123.55 37.27 4.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.412 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -86.06 98.31 10.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' GLY . 14.3 mt-10 -115.21 78.0 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . 35.24 61.69 0.65 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 157.29 61.01 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -172.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.708 2.272 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -40.04 119.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -154.62 171.69 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 62' ' ' PHE . 20.7 mt -45.48 -27.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.0 t -40.89 -44.05 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 26' ' ' HIS . 22.3 m -43.23 -45.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.422 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 97.8 m-70 -63.62 146.61 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.62 -8.82 3.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.579 ' CE3' HG22 ' A' ' 52' ' ' VAL . 13.7 p-90 -131.63 127.7 37.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -148.81 142.07 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -153.82 109.78 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.65 -145.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.75 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 ttp -31.78 120.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . 13.3 pt-20 -72.07 167.26 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.0 tmm_? -35.69 -69.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.16 47.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.422 ' C ' ' HG2' ' A' ' 33' ' ' MET . . . -52.11 -32.75 36.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -86.86 -56.35 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.708 0.289 . . . . 0.0 111.079 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -43.23 -44.14 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -55.25 -35.25 64.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' O ' ' HG2' ' A' ' 45' ' ' ARG . 96.7 mt -70.79 -74.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.413 ' H ' ' CD2' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.57 -16.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.401 ' N ' ' C ' ' A' ' 41' ' ' ILE . . . -69.76 -40.05 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -86.0 -40.37 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 9.0 mmm180 -60.27 168.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 t -58.96 164.32 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.39 112.66 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.16 2.58 10.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 50' ' ' PHE . 25.0 m -64.44 156.11 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.586 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 17.7 p90 -152.28 174.44 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 pp -165.94 175.04 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.579 HG22 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -118.13 113.93 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.3 mtm105 -101.64 168.35 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 38.8 tt0 -135.52 158.81 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.6 tpp180 -93.92 127.89 39.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 p -76.48 -31.23 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -58.87 -40.95 85.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.1 128.39 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.37 40.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.07 41.88 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -169.93 173.35 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 23' ' ' LEU . 31.0 m-85 -155.1 177.93 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.55 162.0 41.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.85 104.7 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 21.3 t -96.27 140.91 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.458 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -149.61 143.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.458 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.3 tptm -89.69 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -166.71 140.86 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.49 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 63.53 51.58 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 6.3 m 47.15 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -152.88 142.12 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.34 118.89 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -98.4 172.78 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.425 ' HB2' ' CD1' ' B' ' 7' ' ' PTR . 16.5 m-70 -142.73 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.491 HG12 ' CG ' ' B' ' 8' ' ' GLU . 10.6 mt -119.87 115.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -78.89 144.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.8 mt -114.92 137.43 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -105.27 157.51 17.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.4 p -151.64 128.96 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.46 -58.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -115.97 44.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.15 33.48 62.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -122.67 159.05 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -125.62 125.52 43.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -162.57 148.77 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.578 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 2.6 pp -108.16 -16.05 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.45 ' CG2' HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -149.11 130.95 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -46.25 -24.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -61.56 -51.83 66.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -113.29 143.87 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -143.84 144.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 1.7 m-85 -124.53 170.92 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -22.02 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.35 147.46 17.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 33.7 tp -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.941 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.422 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 37.8 m -48.04 -52.08 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.55 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.1 tt -49.78 -33.61 16.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 60.0 t -87.97 -42.88 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.17 -6.81 36.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.538 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 74.1 t80 -96.73 -47.48 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -52.55 -39.16 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -51.91 -17.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.76 -12.62 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.538 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 11.7 m-80 -126.24 108.49 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -51.75 152.18 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 117' ' ' THR . 8.9 mp -85.53 -16.39 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -56.28 -17.92 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.32 -49.46 60.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 11' ' ' ASN . 24.8 m -94.45 -46.6 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.578 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 21.9 m-85 -91.72 133.33 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -81.53 -43.48 18.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.2 t -65.35 -46.91 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.6 110.77 15.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -109.02 33.47 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -153.59 174.76 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.475 ' HA ' ' CD1' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -129.57 166.07 20.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.586 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 24.1 mt -46.64 108.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.444 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -89.65 -51.14 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.81 135.22 13.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.81 -169.02 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -72.42 -32.7 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -93.43 -65.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 3.3 pt-20 -172.74 150.53 2.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.6 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -133.13 165.69 24.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 128' ' ' ARG . 14.4 ptpt -112.74 -51.18 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.425 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 11.1 ttt180 -57.91 -70.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.7 m 72.02 28.9 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 22.4 mm -133.44 134.43 56.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -161.49 136.41 7.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -118.85 83.31 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 m -154.79 171.44 19.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.8 92.17 0.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -23.09 31.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.379 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.5 t -49.44 126.78 13.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 92.2 p -144.36 127.2 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.46 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -161.3 150.63 16.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.48 108.01 15.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.9 28.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 42.43 74.22 0.19 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.76 -34.78 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.438 ' HD2' ' N ' ' B' ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.503 ' HG2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -39.74 160.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -137.54 135.99 19.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.633 0.73 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.55 24.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 110' ' ' CYS . 11.6 m-80 -81.58 113.14 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -92.28 -45.98 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.46 -30.52 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -103.6 118.51 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -64.4 161.28 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -111.5 -46.55 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.03 -163.2 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -134.59 165.33 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -42.22 139.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.06 160.28 14.78 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -115.2 158.58 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.53 107.87 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -87.74 129.51 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.83 165.0 26.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -131.32 172.51 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -139.4 156.58 46.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.17 95.95 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -127.17 36.29 4.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.4 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 6.9 p90 -105.38 119.47 39.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' C ' ' HD3' ' A' ' 19' ' ' PRO . 1.8 mm-40 -155.92 106.23 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.21 66.24 0.24 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.75 169.27 19.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -3.47 12.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 0.0 112.404 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -60.88 -175.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 0.3 OUTLIER -34.91 142.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.8 mt -53.51 -24.35 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -55.09 -35.45 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 26' ' ' HIS . 19.5 m -59.2 -29.91 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.46 ' N ' HG21 ' A' ' 25' ' ' VAL . 84.9 m-70 -74.56 144.51 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 126' ' ' GLU . 18.6 mt -58.88 -10.9 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.589 ' CZ3' ' CG2' ' A' ' 52' ' ' VAL . 27.9 p-90 -130.24 127.02 38.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -149.81 142.43 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.536 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.57 110.24 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.61 -143.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.1 Cg_endo -69.71 5.65 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.657 2.238 . . . . 0.0 112.382 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 32' ' ' PRO . 31.0 ttm -30.7 142.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -83.75 162.36 20.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.572 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 13.9 tpt180 -42.84 -57.14 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.72 -41.64 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -60.42 -37.93 93.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' CB ' ' HD2' ' A' ' 53' ' ' ARG . . . -71.09 -52.77 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.069 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -58.54 -48.48 80.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -57.07 -39.46 75.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.477 ' CD1' ' HE1' ' A' ' 33' ' ' MET . 15.2 mt -63.88 -62.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 mt -69.85 1.5 4.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.97 -41.85 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -75.83 -38.95 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 12.8 mmm180 -60.65 -173.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.5 m -83.83 147.29 27.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.64 100.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.91 -7.24 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.476 HG21 ' N ' ' A' ' 50' ' ' PHE . 20.1 m -65.79 146.48 54.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 118' ' ' LEU . 26.5 p90 -138.37 -179.93 6.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 pp -170.57 177.18 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.589 ' CG2' ' CZ3' ' A' ' 28' ' ' TRP . 2.5 t -123.48 114.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' HD2' ' CB ' ' A' ' 38' ' ' ALA . 46.1 mtp180 -106.53 160.29 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -120.63 159.12 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -94.87 150.56 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -87.74 -41.61 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -45.45 -41.23 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.35 135.1 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.14 40.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.91 30.41 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -149.68 170.14 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -151.39 177.52 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.83 149.5 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.1 mt -120.46 98.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.5 t -97.66 132.87 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.424 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -138.38 142.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.554 ' HZ3' ' N ' ' A' ' 68' ' ' TYR . 7.9 tptp -87.8 120.23 28.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.554 ' N ' ' HZ3' ' A' ' 67' ' ' LYS . 2.6 t80 -164.16 137.87 5.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 73.46 54.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.9 m 43.21 26.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -157.77 143.55 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 97.6 t -92.54 116.84 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.557 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 31.7 mmtt -95.01 161.56 14.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -146.02 146.19 30.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.564 HG21 ' CE2' ' A' ' 111' ' ' PHE . 17.5 mt -135.11 140.32 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.448 ' HZ2' ' CD2' ' B' ' 7' ' ' PTR . 2.2 ttmp? -85.21 152.45 23.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 82.4 mt -123.26 124.43 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 49.0 mtm -91.14 168.72 11.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -142.46 135.58 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -135.55 112.25 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 46.18 46.84 13.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.97 24.84 51.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.638 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 22.2 mt -106.93 -179.47 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 16.5 m-85 -153.91 125.78 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.21 130.46 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -84.68 -16.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 p -150.58 133.35 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -48.93 -24.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -57.52 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -117.47 147.33 42.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.567 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -131.2 164.24 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 2.6 m-85 -146.34 173.74 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -91.51 -40.23 11.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.564 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -141.83 161.19 27.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 46.6 tp -54.47 -43.0 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.5 m -59.26 -62.3 1.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -41.74 -42.42 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 10.6 tt -67.78 -32.51 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.516 HG13 ' CE2' ' A' ' 28' ' ' TRP . 15.3 t -78.82 -56.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.74 -6.09 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.516 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 82.4 t80 -94.4 -46.16 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.578 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.3 m-85 -56.24 -35.51 67.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -50.59 -17.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.09 -36.55 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.516 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -104.79 112.83 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -47.25 135.91 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.578 HD21 ' CE1' ' A' ' 102' ' ' TYR . 37.2 mt -56.81 -20.31 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -23.44 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.37 -35.9 52.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.2 m -112.31 -60.67 1.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.564 ' CE2' HG21 ' A' ' 75' ' ' ILE . 38.8 m-85 -93.4 105.58 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -50.91 -48.02 60.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.9 p -42.75 -55.24 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.435 ' CD2' ' HG3' ' B' ' 8' ' ' GLU . 4.5 mm? -75.89 97.08 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -92.35 23.49 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -146.22 164.48 32.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 163.03 16.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 18.6 mt -42.01 107.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.437 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 29.2 mm-40 -86.62 -51.12 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 6.0 m-85 -143.78 140.44 17.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 174.24 9.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.36 -52.23 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -66.84 -72.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -175.69 140.53 0.59 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 114.76 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.463 ' CG ' HD11 ' A' ' 27' ' ' LEU . 2.2 mm-40 -124.22 16.31 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 56.03 46.75 21.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.438 ' HE ' ' N ' ' A' ' 129' ' ' THR . 0.0 OUTLIER -90.94 99.91 12.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.438 ' N ' ' HE ' ' A' ' 128' ' ' ARG . 17.2 m -145.05 138.12 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.1 tp -163.04 134.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 43.5 m -109.92 101.26 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 131' ' ' SER . 15.7 mtp-105 -160.95 132.36 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 m -59.83 -60.01 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.95 -176.89 2.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 124.95 11.56 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.395 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.1 p -114.3 125.53 53.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 t -48.61 -46.42 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.459 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -88.37 124.11 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.01 152.01 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -112.58 110.38 20.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.32 -88.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -117.94 -45.3 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.448 ' CD2' ' HZ2' ' A' ' 76' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.0 mm-40 -53.61 158.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -101.81 132.72 21.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 159.37 53.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -56.14 140.94 42.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -96.61 -37.64 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' B' ' 14' ' ' GLU . 40.4 mm-40 -42.98 -39.67 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' B' ' 13' ' ' GLU . 7.7 pt-20 -35.64 141.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -160.56 146.44 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -158.88 126.27 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.6 -68.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -118.07 120.58 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.35 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -144.19 169.38 17.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.44 119.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.27 -46.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.71 41.12 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -130.45 144.38 51.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 69.27 40.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' O ' ' CD ' ' A' ' 12' ' ' GLU . 2.2 pp20? -93.84 42.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.46 159.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.58 14.6 8.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -77.89 54.15 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -109.31 -175.02 2.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.97 -30.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.71 146.87 5.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 162.61 41.4 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.398 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.1 Cg_endo -69.75 167.46 24.35 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' PRO . 19.8 tt0 -36.66 138.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -113.55 105.8 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD12 ' CE1' ' A' ' 62' ' ' PHE . 42.0 mt -48.74 -23.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.6 t -48.4 -41.33 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.9 m -47.09 -44.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -66.5 153.08 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 10.8 mt -66.46 -6.97 16.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.583 ' CE3' HG21 ' A' ' 52' ' ' VAL . 16.9 p-90 -132.01 126.04 32.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -150.34 136.89 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.83 109.97 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.17 -148.47 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.74 6.18 1.4 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 13.6 ttp -30.33 144.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.28 160.45 30.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' NE ' ' CE1' ' A' ' 74' ' ' HIS . 10.3 tpt180 -44.36 -61.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.38 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -65.68 -30.39 77.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' ' 41' ' ' ILE . . . -86.85 -65.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' ALA . 42.9 mt-10 -37.19 -47.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -54.4 -42.21 70.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 38' ' ' ALA . 97.3 mt -59.85 -71.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -55.41 -16.19 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.8 -58.87 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.2 -32.0 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.48 175.89 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -59.4 159.55 7.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.33 116.28 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.25 5.75 12.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 50' ' ' PHE . 19.5 m -66.98 160.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.579 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 14.9 p90 -157.84 167.25 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 41' ' ' ILE . 1.5 pp -163.62 177.11 9.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.583 HG21 ' CE3' ' A' ' 28' ' ' TRP . 2.2 t -118.88 115.92 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.8 mtm180 -103.3 169.96 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -134.54 148.98 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -94.23 159.64 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.56 -7.06 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -75.62 -52.11 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.9 m-20 -134.57 109.13 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.84 -58.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 74.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -169.11 134.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.411 ' CE1' HD12 ' A' ' 23' ' ' LEU . 62.6 m-85 -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.13 156.79 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.436 HG13 ' CD1' ' A' ' 77' ' ' ILE . 40.5 mt -122.22 105.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -101.36 122.37 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.451 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -134.22 141.57 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 12.2 tptm -84.28 129.49 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -170.14 136.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.465 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 70.96 51.64 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.56 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.466 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 30.0 mm-40 -156.63 147.64 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.5 t -89.27 121.32 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.638 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 34.2 mmtt -95.23 163.65 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.638 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -147.52 142.78 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.478 HG12 ' CE2' ' A' ' 111' ' ' PHE . 44.7 mt -126.47 146.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' B' ' 7' ' ' PTR . 11.4 tptm -90.66 138.53 31.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.436 ' CD1' HG13 ' A' ' 64' ' ' ILE . 66.5 mt -119.94 108.08 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -85.05 162.29 19.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.9 p -136.5 133.64 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.86 113.31 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 44.03 48.04 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.11 52.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.538 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.596 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 18.1 mt -107.37 -179.41 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 7.8 m-85 -150.58 120.89 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -158.74 139.7 12.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.447 HD13 ' CZ ' ' A' ' 111' ' ' PHE . 6.8 pt -95.37 -19.15 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 p -130.86 162.94 28.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.44 -31.05 57.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -73.87 -49.31 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.46 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.5 tppt? -93.71 149.57 21.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.46 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.73 157.5 38.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.076 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.463 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -135.77 173.36 11.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -93.9 -40.5 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.04 159.1 24.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.547 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 19.9 tp -59.06 -39.22 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.7 m -53.75 -68.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -43.93 -48.83 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.463 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.2 tt -48.22 -37.51 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.458 HG11 ' NE1' ' A' ' 28' ' ' TRP . 65.7 t -85.31 -49.9 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.37 -5.55 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.589 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 54.7 t80 -95.45 -46.8 6.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.526 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.9 m-85 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -40.78 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' TYR . 1.9 mp0 -104.1 -28.55 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.589 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 9.0 m-80 -108.95 112.36 24.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.4 t -51.95 131.12 30.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 102' ' ' TYR . 36.3 mt -56.05 -16.94 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 pttp -61.78 -24.82 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.32 -44.78 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.88 -61.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.478 ' CE2' HG12 ' A' ' 75' ' ' ILE . 34.8 m-85 -87.49 160.75 18.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -95.27 -45.94 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -56.97 -54.12 50.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.433 ' N ' HD22 ' A' ' 114' ' ' LEU . 4.2 mm? -68.55 91.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -95.84 25.64 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 t -147.56 160.22 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.57 166.41 11.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.579 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 24.5 mt -45.47 107.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 28.6 mm-40 -87.15 -55.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.491 ' CD1' ' HB3' ' A' ' 125' ' ' PRO . 2.7 m-85 -140.16 131.25 14.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.662 0.744 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.96 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.416 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 1.9 t80 -81.02 -45.72 16.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.71 -67.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.97 155.43 2.39 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.491 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 54.1 Cg_endo -69.75 179.67 3.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.278 . . . . 0.0 112.372 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -127.6 128.21 45.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -130.8 -52.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.3 ttt-85 -84.48 -69.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.5 p -43.69 97.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.51 ' C ' ' CD1' ' A' ' 130' ' ' ILE . 0.0 OUTLIER -164.88 134.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.452 ' N ' HD13 ' A' ' 130' ' ' ILE . 69.3 p -160.99 147.39 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -71.21 -56.15 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 40.1 t -113.79 93.11 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -90.02 -103.09 1.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 136' ' ' SER . 53.9 Cg_endo -69.73 1.19 4.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' PRO . 15.8 t -33.79 -48.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 39.8 p -107.8 132.22 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.516 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.29 -23.75 26.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.14 134.12 56.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -98.18 -48.04 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.96 63.09 2.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -59.02 -41.06 86.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 110.824 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.46 ' CD1' ' HB2' ' A' ' 76' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -58.44 137.12 57.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -89.85 141.74 28.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 155.02 66.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -71.48 112.87 7.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -91.89 -36.47 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -50.16 -49.16 53.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.96 135.6 54.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m -141.57 171.04 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -139.81 176.83 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.98 -155.41 27.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -145.42 159.03 43.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -157.52 124.05 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.91 145.98 6.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HE3' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -82.8 171.77 13.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.94 98.63 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -168.02 132.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.08 84.48 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -134.84 175.56 9.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -38.72 125.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -124.16 151.33 44.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.9 p90 -52.04 -43.17 63.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -74.07 177.82 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -132.06 40.13 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.65 83.23 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 167.74 23.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.7 Cg_endo -69.78 -173.48 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.314 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' PRO . 16.7 tt0 -36.28 147.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' SER . 70.7 m-20 -125.96 101.28 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.432 HD11 ' CE1' ' A' ' 62' ' ' PHE . 17.2 mt -39.86 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 15.5 m -45.58 -43.79 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.6 m -42.32 -44.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -62.96 157.09 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 15.5 mt -71.6 1.54 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.51 ' CE2' HG13 ' A' ' 99' ' ' VAL . 8.7 p-90 -142.65 126.02 16.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -150.45 148.32 28.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -154.71 109.86 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.29 -148.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.3 Cg_endo -69.84 3.74 2.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.0 ttm -33.06 146.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . 8.8 pt-20 -99.18 165.06 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLU . 5.9 tmm_? -34.17 -69.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -44.82 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.55 53.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 -46.65 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' ALA . 22.7 mt-10 -42.64 -54.79 3.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.8 t -47.71 -49.63 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mt -52.67 -49.24 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.11 -6.54 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -85.19 -50.66 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -74.07 -39.26 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -178.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -64.78 162.08 16.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 116.84 16.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.06 4.69 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.417 ' HA ' ' O ' ' A' ' 120' ' ' PHE . 13.7 m -64.75 161.31 18.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 18.2 p90 -153.26 169.71 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -169.96 176.91 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.537 ' O ' ' CB ' ' A' ' 30' ' ' ALA . 2.6 t -123.8 121.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -122.52 150.11 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 39.8 tt0 -101.62 158.53 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.8 mtp180 -95.24 168.12 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.1 t -100.05 -50.67 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -43.7 -43.01 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -132.73 124.03 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.89 -63.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.46 78.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -169.14 123.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.432 ' CE1' HD11 ' A' ' 23' ' ' LEU . 47.0 m-85 -117.44 169.22 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.91 135.13 12.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mt -99.52 124.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t -115.13 117.6 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.95 139.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -87.48 127.4 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -165.46 147.06 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.478 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 1.9 t-20 62.94 50.65 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.95 25.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.4 145.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.496 HG11 ' CE1' ' A' ' 74' ' ' HIS . 60.2 t -92.58 118.87 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' CB ' HD23 ' A' ' 114' ' ' LEU . 20.6 mmtp -96.9 168.83 10.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.496 ' CE1' HG11 ' A' ' 72' ' ' VAL . 7.4 m-70 -149.56 140.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.434 ' CA ' ' HD2' ' B' ' 7' ' ' PTR . 5.2 mp -122.61 131.9 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -87.18 134.26 33.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 35.5 mt -110.27 142.16 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.4 mtm -113.87 154.12 28.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.1 p -143.69 112.12 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.129 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.49 -72.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -112.25 51.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.24 24.84 70.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 48.8 mt -115.86 162.31 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.523 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 1.2 m-85 -131.39 128.93 40.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.466 ' NE ' ' HB3' ' A' ' 91' ' ' ALA . 6.7 ptp180 -162.31 137.53 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 4.9 pt -87.98 -24.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.457 ' CG2' ' HB3' ' B' ' 10' ' ' PRO . 7.3 p -146.2 135.81 23.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.97 -23.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -59.26 -52.4 65.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.573 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 4.4 tmtt? -117.86 137.22 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' HB3' ' NE ' ' A' ' 85' ' ' ARG . . . -130.6 152.78 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.573 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 2.2 m-85 -125.71 172.04 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -90.17 -46.26 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.28 155.99 24.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.523 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 21.7 tp -50.51 -47.33 57.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.9 m -45.49 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.06 -42.04 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 102' ' ' TYR . 6.4 tt -54.58 -42.52 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.51 HG13 ' CE2' ' A' ' 28' ' ' TRP . 59.5 t -77.52 -45.11 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.29 -5.64 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.614 ' CZ ' ' CG ' ' A' ' 105' ' ' ASN . 67.4 t80 -97.28 -49.67 4.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.523 ' CE2' HD22 ' A' ' 98' ' ' LEU . 2.3 m-85 -49.33 -47.8 46.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.08 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.9 mp0 -104.8 -32.93 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.614 ' CG ' ' CZ ' ' A' ' 101' ' ' PHE . 1.6 m-80 -104.94 113.75 27.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 92.4 p -54.34 143.62 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 107' ' ' LEU . 10.9 mp -72.44 -16.49 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -61.56 -26.57 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.05 -51.28 24.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.48 -32.69 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.1 m-85 -110.0 77.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -33.68 -46.4 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -48.59 -55.42 11.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.503 ' CD2' ' CD ' ' B' ' 8' ' ' GLU . 3.5 mm? -72.58 92.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -89.81 44.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -168.45 174.44 6.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -127.6 174.12 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.532 ' HG ' ' CG ' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -57.24 104.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.464 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 21.5 mm-40 -85.46 -48.7 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.3 m-85 -143.04 130.47 10.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.444 ' HA ' ' CE1' ' A' ' 50' ' ' PHE . 53.5 Cg_endo -69.75 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -79.71 -44.16 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 4.5 mmpt? -72.85 -70.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -173.01 149.4 1.78 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.61 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -157.23 143.41 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -107.12 153.04 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -167.13 149.27 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 t -124.57 -15.16 6.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.4 mt -72.47 126.59 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.6 m -99.94 113.4 25.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -123.08 133.56 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.4 p -72.07 -54.75 8.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 125.01 166.6 12.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 161.65 45.1 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.1 p -118.26 155.78 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.9 t -175.07 176.66 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.453 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -74.54 151.54 39.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -107.64 147.43 30.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -128.36 116.22 19.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.78 90.4 0.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.42 -35.92 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.434 ' HD2' ' CA ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.503 ' CD ' ' CD2' ' A' ' 114' ' ' LEU . 44.5 mt-10 -67.14 133.85 50.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.9 p -102.4 147.27 33.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.457 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.9 Cg_endo -69.7 148.09 64.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -66.22 126.5 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -94.4 -39.78 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' B' ' 14' ' ' GLU . 15.5 pt-20 -78.59 -48.81 14.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . 0.439 ' N ' ' HG3' ' B' ' 13' ' ' GLU . 2.8 tm-20 46.79 44.28 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -112.05 102.55 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -124.43 143.94 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.5 56.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -121.69 115.38 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -68.89 -58.38 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.26 105.06 2.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -138.96 170.59 15.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.88 151.83 43.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -134.99 130.6 35.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.2 121.3 43.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -101.0 175.82 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -138.29 158.0 45.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -93.97 45.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.576 ' CD1' ' O ' ' A' ' 15' ' ' TRP . 3.5 t-105 -97.34 89.96 4.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.413 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -125.21 100.67 6.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' GLY . 10.1 mt-10 -119.89 43.63 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . 35.38 79.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.17 34.88 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.35 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.52 2.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -38.5 127.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -149.96 160.84 43.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD11 ' CE1' ' A' ' 62' ' ' PHE . 15.4 mt -54.37 -26.87 32.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' VAL . 16.2 p -44.33 -48.34 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' SER . 7.5 m -37.33 -36.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.409 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 99.3 m-70 -73.75 146.33 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.4 mt -60.64 -9.49 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.672 ' CZ3' ' CG2' ' A' ' 52' ' ' VAL . 24.1 p-90 -131.82 128.46 38.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -148.17 141.63 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.522 ' CB ' ' O ' ' A' ' 52' ' ' VAL . . . -152.75 110.34 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.87 -152.51 1.38 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.72 5.0 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.2 ttp -30.57 140.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.67 156.1 38.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.626 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 16.7 tpp85 -41.13 -60.84 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -38.71 51.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.463 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -51.87 -35.07 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.434 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -79.21 -58.26 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 30.0 mt-10 -35.78 -57.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -50.47 -47.8 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.8 mt -56.97 -64.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.411 HD22 ' C ' ' A' ' 49' ' ' THR . 5.6 mt -66.74 -7.9 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -95.4 -30.67 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -88.73 -36.49 16.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -59.14 -75.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -175.57 179.16 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -85.24 101.2 12.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.52 -4.69 5.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 50' ' ' PHE . 20.0 m -65.01 154.87 36.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 111.151 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 28.0 p90 -148.14 175.63 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -169.56 177.12 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.672 ' CG2' ' CZ3' ' A' ' 28' ' ' TRP . 2.4 t -119.33 112.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 53' ' ' ARG . 20.7 mtm105 -99.88 167.2 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.46 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.1 tt0 -123.62 158.26 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.46 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.9 tpp180 -93.85 156.64 16.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 94.7 t -95.66 -37.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -51.1 -58.38 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.8 123.43 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . -45.53 -49.6 13.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 59' ' ' ALA . 7.1 mt-10 -169.18 161.51 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.497 ' CE1' HD11 ' A' ' 23' ' ' LEU . 44.7 m-85 -159.01 175.57 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.66 161.7 41.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mt -128.14 100.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.3 t -96.57 129.19 44.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.421 HG12 ' N ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -135.64 142.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.421 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.9 tptm -89.27 121.64 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CB ' HD13 ' A' ' 66' ' ' ILE . 4.4 t80 -163.85 139.51 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.2 t-20 67.46 54.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.06 25.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ASN . 29.3 mm-40 -151.14 132.77 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 93.7 t -86.24 114.4 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.543 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 4.7 mmmt -94.89 170.86 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.626 ' CE1' ' CD ' ' A' ' 35' ' ' ARG . 2.0 m-70 -151.35 143.92 24.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.462 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.3 mp -125.63 129.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.2 ttpm? -81.61 150.08 28.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.428 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 89.8 mt -121.08 135.89 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtm -106.05 154.14 21.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 54.6 p -147.54 150.92 35.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.76 -73.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.93 12.63 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.15 11.78 4.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD21 ' N ' ' A' ' 83' ' ' LEU . 3.0 mm? -93.32 168.09 11.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 5.0 m-85 -139.37 120.82 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -159.3 137.49 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.554 HD11 ' CZ ' ' A' ' 111' ' ' PHE . 28.7 pt -86.58 -25.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.2 p -137.49 167.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -72.21 -35.58 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -62.47 -55.59 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.0 tppt? -88.34 151.84 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.505 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -156.67 160.4 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 5.3 m-85 -145.55 171.57 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -20.99 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.7 141.83 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.4 tp -52.81 -43.81 66.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.409 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 19.2 m -50.69 -50.11 55.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.11 -44.87 90.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.57 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.8 tt -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.434 ' CG1' ' CD1' ' A' ' 118' ' ' LEU . 97.4 t -92.83 -46.91 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -65.87 -5.38 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.508 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 77.8 t80 -98.58 -47.2 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.453 ' CD1' HD21 ' A' ' 107' ' ' LEU . 4.8 m-85 -51.93 -31.97 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.45 ' HB2' ' NE2' ' A' ' 104' ' ' GLN . 68.5 mt-30 -54.52 -21.38 9.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.541 ' NE2' ' NH2' ' A' ' 128' ' ' ARG . 0.3 OUTLIER -102.65 -34.98 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -104.77 113.8 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -55.52 131.73 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.453 HD21 ' CD1' ' A' ' 102' ' ' TYR . 59.3 mt -55.83 -15.07 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -60.0 -16.94 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -63.34 -34.92 78.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . 0.433 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 56.4 m -109.62 -50.28 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.554 ' CZ ' HD11 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.72 97.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -51.8 -26.63 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.43 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 5.1 t -68.8 -49.03 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.18 104.87 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -98.03 21.59 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.5 t -141.23 160.98 38.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -118.69 170.49 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.511 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 34.5 mt -47.6 108.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.575 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.5 mt-30 -90.59 -48.33 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.6 m-85 -145.44 138.65 14.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.418 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.76 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -70.76 -41.64 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -81.75 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.418 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 0.6 OUTLIER -175.16 150.68 1.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.696 0.76 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.77 61.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.748 2.298 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 128' ' ' ARG . 13.8 tt0 -100.54 68.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 126' ' ' GLU . 13.7 ptmt 32.22 36.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.541 ' NH2' ' NE2' ' A' ' 104' ' ' GLN . 3.9 mmm180 -105.59 96.79 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.8 m -155.96 130.26 8.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.3 tt -174.77 148.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 t -121.65 130.92 53.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -123.73 147.8 47.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.8 t -123.06 136.44 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 157.17 -159.86 30.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 165.43 30.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.0 p -174.72 170.74 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.5 t -149.66 163.22 38.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.444 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -112.09 -60.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -107.39 159.75 16.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.53 -35.75 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.1 -112.49 0.4 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -130.84 -171.23 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -71.17 157.13 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.3 p -115.22 142.05 28.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 17.2 m-80 -58.3 114.4 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -96.21 -43.17 7.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.28 -46.49 33.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -59.05 -61.01 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.4 p 44.37 42.18 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -66.47 94.99 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.06 110.48 1.45 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p 41.99 42.7 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 m -67.39 175.29 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.65 -82.57 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? 61.75 39.81 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.82 136.82 51.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -129.68 42.3 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.5 114.15 26.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.33 172.64 16.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -114.37 84.7 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -115.31 80.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 42.1 p-90 -123.36 74.8 1.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -127.26 -32.9 2.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 18' ' ' GLY . 7.2 pt-20 -89.19 88.09 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -33.86 103.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 170.05 17.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -175.25 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -46.42 159.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 22' ' ' ASP . 1.0 OUTLIER -91.08 98.11 11.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 mt -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' ASP . 65.2 p -43.62 -40.49 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 m -47.2 -43.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.491 ' CE1' HG21 ' A' ' 96' ' ' THR . 99.7 m-70 -62.74 156.67 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 126' ' ' GLU . 8.9 mt -72.85 0.52 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.556 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 14.6 p-90 -141.36 126.61 18.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -149.6 151.28 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -154.46 111.04 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.9 -150.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.8 3.38 2.82 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.242 . . . . 0.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.469 ' CE ' HD12 ' A' ' 41' ' ' ILE . 4.0 ttp -33.26 140.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 15.2 pt-20 -89.2 167.7 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' GLU . 4.5 tmm_? -36.12 -68.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.57 -48.92 57.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.19 -31.24 6.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -84.27 -52.54 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 43' ' ' ALA . 28.1 mt-10 -37.69 -55.3 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -47.45 -46.72 26.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.469 HD12 ' CE ' ' A' ' 33' ' ' MET . 25.6 mt -58.6 -58.98 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 2.8 mt -74.54 -4.55 37.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -83.68 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -63.05 -44.07 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -56.33 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -68.33 141.16 55.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.16 106.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 132.37 1.85 4.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.432 ' C ' HD23 ' A' ' 42' ' ' LEU . 18.1 m -64.63 165.08 10.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.532 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 21.7 p90 -155.44 170.88 20.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -169.84 175.66 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.556 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 2.6 t -123.2 106.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.9 ptt-85 -111.68 152.57 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 44.4 tt0 -97.6 160.43 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.452 HH21 ' CE1' ' B' ' 7' ' ' PTR . 4.0 mtt-85 -93.58 168.11 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.0 m -105.57 -16.32 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.23 -43.81 49.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -133.73 116.28 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.28 -61.05 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.2 74.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.08 124.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -110.6 172.41 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.3 145.5 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.5 mt -109.76 123.23 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -117.8 117.92 30.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.64 137.84 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 14.1 tptm -85.58 137.94 32.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.487 ' CD2' HG21 ' A' ' 116' ' ' THR . 3.6 t80 -175.38 138.9 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.491 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 2.1 t-20 66.19 49.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.51 26.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -151.28 135.53 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.6 t -92.09 118.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 51.0 mmtt -98.45 172.21 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 3.6 m-70 -150.95 146.41 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 87.0 mt -122.19 127.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 119.56 26.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.405 HG22 ' N ' ' A' ' 78' ' ' MET . 35.9 mt -93.5 147.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.405 ' N ' HG22 ' A' ' 77' ' ' ILE . 29.6 mtm -116.82 149.41 40.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.0 p -145.01 126.45 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.45 -72.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -107.48 49.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.13 29.34 66.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 13.6 mt -121.25 147.48 45.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.532 ' N ' ' CD1' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -121.02 126.99 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -161.66 146.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.568 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 2.6 pp -106.48 -12.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 3.0 p -144.18 168.0 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.12 -26.31 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.88 -54.17 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -93.72 142.69 27.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.1 140.56 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.7 m-85 -123.23 172.0 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -24.57 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.1 139.78 9.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 18.7 tp -50.18 -39.29 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.491 HG21 ' CE1' ' A' ' 26' ' ' HIS . 28.8 m -52.89 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.94 -46.84 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.7 tt -49.31 -40.81 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.436 HG12 ' CE2' ' A' ' 28' ' ' TRP . 95.8 t -80.44 -51.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.56 -6.98 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.506 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 50.6 t80 -94.78 -50.26 5.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.432 ' CD1' HD12 ' A' ' 107' ' ' LEU . 1.4 m-85 -50.51 -46.4 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -44.99 -21.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 102' ' ' TYR . 5.9 mt-30 -104.16 -34.79 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.88 112.89 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 4.8 t -50.29 141.49 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD12 ' CD1' ' A' ' 102' ' ' TYR . 10.4 mp -68.87 -17.28 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 20.3 pttt -60.89 -21.93 63.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.81 -48.24 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.12 -41.05 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.568 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 10.8 m-85 -112.02 86.78 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.594 ' N ' ' HZ2' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -47.04 -22.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -63.1 -49.18 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.457 ' CD1' ' HG3' ' B' ' 8' ' ' GLU . 2.6 mt -88.64 118.65 28.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -104.29 32.76 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.487 HG21 ' CD2' ' A' ' 68' ' ' TYR . 15.2 t -148.65 157.11 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.485 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -119.81 173.91 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.532 ' HG ' ' CG ' ' A' ' 50' ' ' PHE . 1.6 mp -54.29 103.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -84.81 -48.66 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.81 136.17 13.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.499 ' CD ' ' HA ' ' A' ' 125' ' ' PRO . 54.0 Cg_endo -69.79 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.403 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 2.0 t80 -82.47 -34.84 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 18.2 mtpt -91.03 -67.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 31.3 mt-10 -163.33 144.73 7.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.499 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo -69.68 145.03 56.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.475 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 26.7 tp10 -120.49 149.93 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -98.28 140.74 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.69 105.25 15.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.3 t -116.76 -13.95 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 tp -109.16 137.45 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 83.5 p -115.0 110.38 19.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -162.67 148.41 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.0 t -142.06 123.96 15.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -123.45 70.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.09 32.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.9 p -159.13 167.98 27.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.5 t -100.53 162.18 13.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.507 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -122.7 158.59 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -127.39 152.79 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.37 -60.21 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.36 58.94 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.55 -40.43 91.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . 0.452 ' CE1' HH21 ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.457 ' HG3' ' CD1' ' A' ' 114' ' ' LEU . 5.6 mm-40 -63.38 143.37 57.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -111.19 138.8 21.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.5 53.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -57.51 111.12 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -97.72 -49.13 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.1 -45.48 52.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -58.59 125.93 25.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -169.74 177.6 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -164.51 171.68 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.95 -175.33 39.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -158.53 174.81 14.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -142.01 164.2 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.57 117.54 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -159.21 144.22 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.06 148.95 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -137.66 164.6 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.02 149.08 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -153.96 170.87 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.17 168.8 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -122.16 121.44 36.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.464 ' O ' ' CD2' ' A' ' 15' ' ' TRP . 15.9 p-90 -115.52 36.32 4.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -126.08 -40.28 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -59.28 91.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.71 80.24 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.97 55.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.382 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -174.96 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.24 147.02 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -135.72 163.87 29.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -53.18 -21.66 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -48.75 -33.24 9.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.4 m -52.43 -35.05 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -74.0 153.51 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.4 mt -67.52 -9.96 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.533 ' CE3' HG23 ' A' ' 52' ' ' VAL . 7.9 p-90 -128.3 125.43 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -151.14 148.12 27.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 52' ' ' VAL . . . -155.3 109.39 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 -151.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.2 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . 0.483 ' HE2' ' CD1' ' A' ' 41' ' ' ILE . 6.6 ttp -32.28 146.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' ARG . 9.7 pt-20 -91.51 162.58 14.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -33.79 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.31 -45.35 45.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.425 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -51.65 -37.63 42.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.09 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.502 ' O ' ' N ' ' A' ' 43' ' ' ALA . 25.8 mt-10 -56.47 -53.04 62.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -44.21 -47.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.483 ' CD1' ' HE2' ' A' ' 33' ' ' MET . 41.7 mt -60.93 -62.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 HD21 ' C ' ' A' ' 49' ' ' THR . 2.1 mt -73.1 2.86 6.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -92.95 -17.99 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -124.69 -21.4 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -55.14 -72.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 t -175.76 174.53 2.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -82.81 97.55 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.87 1.62 8.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.481 HG22 ' N ' ' A' ' 50' ' ' PHE . 14.3 m -65.16 151.3 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.61 ' CZ ' ' OE1' ' A' ' 103' ' ' GLN . 10.4 p90 -147.09 174.49 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 pp -169.28 177.13 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.533 HG23 ' CE3' ' A' ' 28' ' ' TRP . 2.6 t -123.21 107.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -108.73 142.86 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -83.14 160.16 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -96.5 149.07 22.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.67 -33.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -149.34 136.68 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -22.88 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -97.79 53.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 5.3 mm-40 -155.87 128.31 7.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -117.56 176.09 5.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.59 150.21 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.9 mt -116.46 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 t -95.34 128.67 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.453 HD13 ' CB ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -136.81 143.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.45 ' N ' HG12 ' A' ' 66' ' ' ILE . 11.2 tptm -89.73 120.04 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.453 ' CB ' HD13 ' A' ' 66' ' ' ILE . 2.1 t80 -161.46 134.7 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.462 ' O ' HG21 ' A' ' 70' ' ' VAL . 1.8 t-20 73.0 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.536 ' CG2' ' O ' ' A' ' 70' ' ' VAL . 0.8 OUTLIER 40.64 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ASN . 19.9 mt-10 -152.75 134.77 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.6 t -87.5 117.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.631 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 5.1 mmmt -96.8 171.03 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.631 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 2.7 m-70 -151.35 144.84 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.411 HG22 ' N ' ' A' ' 76' ' ' LYS . 16.4 mt -132.15 138.58 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 22.6 ttmt -84.36 149.61 25.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.427 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 96.8 mt -117.54 131.56 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 44.0 mtm -92.38 169.83 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.2 p -149.95 119.44 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -129.08 111.48 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 50.38 44.51 26.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.21 21.39 58.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 29.6 mt -100.68 177.42 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 17.7 m-85 -154.75 124.0 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -160.29 142.6 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.55 HD11 ' CE2' ' A' ' 102' ' ' TYR . 44.9 pt -97.22 -15.11 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 p -137.76 166.46 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -80.57 -29.52 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.76 -55.3 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -92.3 149.91 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.633 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -148.92 163.44 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -146.58 173.26 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -93.45 -46.46 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . 0.459 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -128.39 160.18 22.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.2 tp -60.83 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 m -54.76 -70.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 12.6 mm-40 -44.94 -49.29 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.549 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.0 tt -47.45 -35.94 9.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 28' ' ' TRP . 84.2 t -90.17 -57.22 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.12 -10.26 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.517 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 92.3 t80 -95.36 -47.17 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 86' ' ' ILE . 2.2 m-85 -56.44 -27.09 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.61 ' OE1' ' CZ ' ' A' ' 50' ' ' PHE . 4.3 mt-30 -63.48 -7.75 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -115.94 -33.36 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -105.78 113.66 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -51.76 133.25 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 9.3 mp -70.56 -8.32 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -60.63 -16.72 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -33.59 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.6 m -102.93 -50.81 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -106.14 98.61 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -48.8 -28.04 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 43.6 t -67.48 -48.5 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.412 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 3.8 mm? -80.18 86.44 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 32.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -153.05 164.63 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.71 161.05 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.591 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 30.9 mt -42.99 112.44 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.553 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 20.3 mt-30 -89.38 -53.68 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.3 m-85 -144.54 135.69 12.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -168.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.516 ' C ' ' CD1' ' A' ' 122' ' ' PHE . 0.8 OUTLIER -79.95 -46.08 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.02 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 125' ' ' PRO . 0.4 OUTLIER -176.13 154.79 1.43 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.415 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 53.8 Cg_endo -69.81 112.84 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.36 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -168.16 114.34 0.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.413 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -126.23 137.79 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -138.88 120.95 15.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.6 t -66.85 105.6 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.1 tt -174.28 141.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.2 m -157.37 121.38 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.23 179.8 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.9 t -106.8 139.32 41.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.13 94.27 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -173.78 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.725 2.283 . . . . 0.0 112.28 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.8 t -155.48 161.42 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.3 p -166.89 145.95 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.489 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -93.83 86.39 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -101.82 130.63 48.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -126.5 124.78 40.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.1 86.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.11 -37.44 33.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' GLU . . . . . 0.4 ' CD ' HD22 ' A' ' 114' ' ' LEU . 32.5 mt-10 -58.89 161.93 4.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -111.54 130.61 22.93 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.732 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.98 69.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.262 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -57.59 118.76 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -90.74 -61.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -50.53 -39.29 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -85.84 106.77 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.654 ' O ' HG22 ' A' ' 25' ' ' VAL . 7.8 t70 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD11 ' CE1' ' A' ' 62' ' ' PHE . 28.4 mt -41.05 -26.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.7 m -45.27 -44.12 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 22' ' ' ASP . 12.6 m -42.83 -37.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -73.56 150.61 41.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 124' ' ' GLU . 8.7 mt -65.13 -5.75 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 18.5 p-90 -134.75 127.82 31.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -148.98 145.5 27.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.76 111.02 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.52 -148.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.551 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.81 4.54 2.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.9 ttp -32.28 142.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.25 179.73 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 20.1 tpp85 -52.3 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -42.51 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.13 -37.67 81.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.33 -47.61 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ALA . 34.2 mt-10 -51.21 -57.0 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -49.12 -41.95 37.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.33 -51.7 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.512 HD23 HG22 ' A' ' 49' ' ' THR . 3.3 mt -82.29 -5.47 58.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -91.36 -42.8 10.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -79.31 -37.41 37.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' N ' ' HD2' ' A' ' 45' ' ' ARG . 3.7 mpt_? -65.24 -176.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 m -68.21 153.44 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 115.34 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.45 7.37 9.96 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.512 HG22 HD23 ' A' ' 42' ' ' LEU . 27.9 m -69.51 157.98 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.18 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.737 ' CG ' HD22 ' A' ' 118' ' ' LEU . 17.6 p90 -152.44 172.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -169.86 176.93 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.909 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -122.26 114.77 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 10.4 ptt85 -116.31 154.94 29.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 7.7 tt0 -108.11 152.38 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 27.5 ttt180 -93.97 165.21 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.69 -37.75 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -44.67 -57.46 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.09 114.11 16.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.12 -46.47 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.91 63.16 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.11 124.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CE1' HD11 ' A' ' 23' ' ' LEU . 40.7 m-85 -116.71 164.53 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -150.75 137.71 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.88 HG13 HD11 ' A' ' 77' ' ' ILE . 51.7 mt -102.04 111.41 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.483 ' HG ' ' CG ' ' A' ' 74' ' ' HIS . 5.0 t -107.3 118.96 38.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.495 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -129.83 143.14 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 15.4 tptm -87.9 127.32 35.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -166.06 144.77 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.728 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 64.93 49.46 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 48.25 25.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -153.84 148.0 25.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 39' ' ' GLU . 34.4 t -90.31 121.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 18.9 mmtp -101.48 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.6 m-70 -143.12 152.61 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.446 HD13 ' HE2' ' A' ' 111' ' ' PHE . 23.1 mt -134.42 141.67 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -92.81 117.7 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.88 HD11 HG13 ' A' ' 64' ' ' ILE . 69.0 mt -93.79 136.25 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 mtt -94.05 169.5 10.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 p -147.33 116.12 6.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -120.74 113.38 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 43.33 47.84 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.07 23.5 55.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 80' ' ' ALA . 19.2 mt -104.68 -179.35 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 15.7 m-85 -155.54 123.38 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.1 143.19 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.812 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -108.58 -11.39 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.812 HG23 HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -129.81 166.2 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.56 -32.8 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -74.63 -47.76 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -94.7 150.34 20.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.67 137.28 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 1.1 m-85 -116.53 173.62 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.526 ' HA ' HD23 ' A' ' 83' ' ' LEU . 6.7 ppt_? -104.14 -32.77 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -134.75 153.28 21.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.446 HD23 HD21 ' A' ' 23' ' ' LEU . 10.6 tp -61.76 -46.36 89.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.2 m -52.15 -49.39 63.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -58.64 -46.7 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.5 tt -55.87 -32.49 63.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 118' ' ' LEU . 96.1 t -81.79 -53.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.22 -5.66 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.516 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 84.4 t80 -94.7 -44.59 7.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -58.98 -36.04 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -52.85 -19.08 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.69 -29.13 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 11.4 m-80 -108.91 111.32 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -54.22 128.68 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.636 HD13 ' HA ' ' A' ' 117' ' ' THR . 8.0 mp -57.18 -14.53 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.92 -27.17 60.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.73 -48.21 81.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' B' ' 11' ' ' ASN . 91.8 m -94.82 -52.24 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.536 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 29.9 m-85 -99.73 71.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -33.3 -36.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' PHE . 48.0 t -55.12 -53.2 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 mp -81.82 94.65 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -84.65 35.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -150.67 157.03 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.636 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.1 OUTLIER -116.78 166.63 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.737 HD22 ' CG ' ' A' ' 50' ' ' PHE . 53.1 mt -44.65 106.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.9 mt-30 -89.81 -47.64 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.0 m-85 -144.67 135.17 12.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.462 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.0 Cg_endo -69.74 -162.83 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.41 -43.24 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 38.2 mttt -82.4 -69.26 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.569 ' O ' HD13 ' A' ' 27' ' ' LEU . 39.7 mt-10 -162.74 145.37 8.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.3 p -106.99 140.95 21.89 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 176.53 6.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.386 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 110' ' ' CYS . 3.4 m-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.583 HD11 ' CE1' ' A' ' 62' ' ' PHE . 21.0 mt -46.82 -21.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 m -47.37 -39.79 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 26' ' ' HIS . 35.6 m -45.38 -42.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.456 ' N ' HG23 ' A' ' 25' ' ' VAL . 65.4 m80 -67.27 146.77 53.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.34 -10.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.749 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.4 p-90 -131.38 127.85 38.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -148.02 144.24 27.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.01 110.79 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.04 -149.85 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 5.88 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttm -31.57 133.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.08 170.49 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 35' ' ' ARG . 5.0 tmm_? -44.87 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.35 -42.12 40.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.0 71.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.623 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -81.83 -57.07 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.578 ' HA ' HG11 ' A' ' 72' ' ' VAL . 47.5 mt-10 -42.4 -47.96 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 30.3 t -48.17 -47.15 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 42' ' ' LEU . 98.1 mt -54.89 -71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.725 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -53.92 -16.19 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -76.72 -64.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 5.1 mpt_? -66.93 176.61 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ASP . 21.6 m -68.35 121.73 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.9 p-10 -36.41 126.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.27 29.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.4 m -67.97 162.14 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 111.17 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 16.3 p90 -156.24 167.26 30.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.6 pp -162.48 176.98 9.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.916 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 t -118.54 114.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -103.02 163.74 12.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 41.4 tt0 -131.94 155.29 48.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.464 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.8 mmm-85 -94.18 170.27 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.4 -12.69 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.03 -39.78 48.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -142.4 107.56 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.47 -46.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB1' ' OG1' ' A' ' 79' ' ' THR . . . -74.4 69.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -168.58 128.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 23' ' ' LEU . 47.8 m-85 -131.55 174.85 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.32 164.51 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.433 HG13 HD11 ' A' ' 77' ' ' ILE . 23.2 mt -132.92 107.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -103.87 126.52 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.473 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.82 142.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 66' ' ' ILE . 14.5 tptm -88.35 132.05 34.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -172.44 138.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.681 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.14 52.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.62 25.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -154.33 143.33 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 39' ' ' GLU . 21.5 t -95.38 124.1 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.4 mmtt -99.79 158.05 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.488 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -137.61 142.55 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.521 HD11 ' CD1' ' A' ' 114' ' ' LEU . 22.1 mt -126.94 125.67 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -81.96 141.06 33.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.433 HD11 HG13 ' A' ' 64' ' ' ILE . 34.5 mt -114.32 145.87 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.8 mtm -119.61 154.15 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' HB1' ' A' ' 60' ' ' ALA . 73.2 p -145.87 119.81 9.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.63 -74.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -113.18 51.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.92 20.92 72.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.2 mt -116.18 131.69 56.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 5.1 m-85 -101.48 129.38 47.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -162.17 139.45 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.578 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 5.9 pt -95.41 -19.96 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.8 p -142.0 157.82 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -68.28 -23.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -71.55 -56.78 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -94.81 139.76 30.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.47 144.31 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 98' ' ' LEU . 28.8 m-85 -124.82 167.63 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -93.72 -40.52 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.91 144.05 14.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 47.1 tp -42.28 -47.43 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 m -43.87 -68.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -46.71 -54.95 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 92' ' ' PHE . 10.1 tt -41.28 -33.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.682 HG13 ' CD1' ' A' ' 118' ' ' LEU . 93.8 t -90.62 -47.85 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.7 -5.73 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 20.7 t80 -97.35 -45.41 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.488 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.7 m-85 -55.63 -34.76 65.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -51.0 -17.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -110.81 -23.36 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.434 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 3.6 m-80 -111.34 112.08 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 t -53.69 128.0 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 114' ' ' LEU . 16.5 mt -60.74 -11.27 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.52 -41.2 84.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.5 m -94.99 -56.78 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.578 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.41 101.87 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -19.64 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -74.59 -53.7 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.521 ' CD1' HD11 ' A' ' 75' ' ' ILE . 11.8 mt -78.77 99.81 6.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.76 35.41 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.2 t -157.67 151.94 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 164.09 12.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.682 ' CD1' HG13 ' A' ' 99' ' ' VAL . 30.8 mt -46.19 109.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.447 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.4 mt-30 -88.66 -51.43 5.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.0 m-85 -143.17 136.89 14.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.451 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.8 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -38.99 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -87.01 -66.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.451 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.2 pt-20 -175.18 151.45 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -107.78 143.25 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 162.22 42.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.701 ' O ' HG22 ' A' ' 25' ' ' VAL . 18.9 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 14.9 mt -43.31 -25.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.0 t -47.12 -41.47 17.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 22' ' ' ASP . 6.9 m -41.52 -32.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -78.33 146.1 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 27' ' ' LEU . 7.3 tp -57.51 -11.3 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.6 p-90 -130.09 127.47 39.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -148.78 153.21 37.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.913 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.5 111.11 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . . . -57.76 -151.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.69 2.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 41.5 ttp -38.6 137.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -90.45 174.6 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.465 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 7.6 tmm_? -44.64 -66.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.58 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.47 -36.59 93.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.618 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -63.84 -57.9 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.5 mt-10 -41.48 -43.23 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 41.0 t -51.78 -42.83 62.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.581 HG22 HD13 ' A' ' 42' ' ' LEU . 91.1 mt -65.79 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -53.28 -18.58 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -69.2 -33.19 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 40' ' ' SER . 62.9 m-80 -93.64 -38.16 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 2.1 mmt180 -61.47 -175.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -77.62 172.79 12.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.73 114.67 13.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.16 1.65 18.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 50' ' ' PHE . 31.9 m -64.57 158.93 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.89 ' CG ' HD22 ' A' ' 118' ' ' LEU . 24.0 p90 -153.17 170.74 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.43 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 3.0 pp -160.82 174.45 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.913 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.8 t -129.47 115.21 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptt-85 -119.45 156.72 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.487 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.2 tt0 -100.53 158.93 15.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.487 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 26.1 mtt180 -94.61 167.48 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.96 -36.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -53.33 -53.0 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -130.32 118.89 21.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.86 -60.6 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 74.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 0.7 OUTLIER -168.92 147.7 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 32.7 m-85 -141.75 176.49 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.15 156.89 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.78 103.94 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.7 t -99.94 136.51 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.599 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -142.01 145.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 7.7 tptm -94.52 133.31 38.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -174.11 142.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.677 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.3 t-20 63.88 50.58 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.4 m 46.67 24.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 22.3 mm-40 -151.37 137.5 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.5 t -91.09 121.64 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HE3' ' CD2' ' A' ' 114' ' ' LEU . 9.7 mttt -95.18 172.06 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.465 ' CD2' ' HG2' ' A' ' 35' ' ' ARG . 4.8 m80 -150.07 140.72 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.38 135.69 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -95.73 138.42 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 70.5 mt -108.28 137.62 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mtm -112.44 146.63 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.7 p -138.02 135.67 36.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.6 -66.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.13 46.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.64 29.3 63.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -122.75 151.09 41.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -116.73 126.8 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -161.51 138.95 8.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.8 pt -93.78 -19.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.5 p -133.57 155.75 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.63 -37.94 85.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -65.68 -57.74 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -83.32 150.33 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.479 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -154.32 161.3 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 3.2 m-85 -142.4 168.66 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -88.32 -44.47 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.518 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.96 156.04 24.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.596 HD21 HG11 ' A' ' 52' ' ' VAL . 11.5 tp -50.38 -41.34 51.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.1 m -51.9 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 8.6 mm-40 -45.66 -41.41 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.508 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 5.3 tt -56.77 -37.75 71.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.768 HG13 ' CD1' ' A' ' 118' ' ' LEU . 98.1 t -83.69 -51.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.17 -5.58 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.716 ' CE2' ' ND2' ' A' ' 105' ' ' ASN . 83.1 t80 -95.84 -47.35 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CE1' HD23 ' A' ' 107' ' ' LEU . 2.3 m-85 -54.23 -36.8 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -52.19 -20.59 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.0 -31.93 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.716 ' ND2' ' CE2' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -111.37 111.73 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -50.1 135.13 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.604 HD23 ' CE1' ' A' ' 102' ' ' TYR . 12.8 mt -57.8 -21.18 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 7.5 ptmt -57.63 -19.91 29.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -55.95 -40.86 73.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.3 m -100.47 -50.14 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -91.7 157.49 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -98.06 -40.16 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.0 t -65.64 -47.96 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.467 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 7.7 mt -74.33 96.17 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 11.7 t70 -96.42 25.21 5.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -143.59 178.72 7.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -137.17 172.37 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.89 HD22 ' CG ' ' A' ' 50' ' ' PHE . 65.3 mt -46.44 108.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.455 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 37.6 mm-40 -90.56 -47.46 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.61 135.6 13.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.457 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.4 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.237 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -61.43 -50.96 70.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 20.3 mttp -70.7 -70.27 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 9.8 pt-20 -175.53 152.57 1.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 m -100.48 139.91 21.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.678 0.751 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 156.04 64.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD11 ' CE1' ' A' ' 62' ' ' PHE . 18.1 mt -37.87 -35.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' VAL . 46.8 t -38.61 -49.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 26' ' ' HIS . 34.4 m -37.86 -44.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.5 ' N ' HG23 ' A' ' 25' ' ' VAL . 58.5 m80 -64.86 146.88 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 27' ' ' LEU . 7.5 tp -59.61 -9.47 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.74 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 17.9 p-90 -132.17 128.41 37.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -148.04 151.81 36.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.925 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.34 111.0 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.37 -148.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.7 Cg_endo -69.7 8.56 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.712 ' CE ' HD11 ' A' ' 41' ' ' ILE . 5.5 tpp -28.56 140.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -98.44 172.35 7.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HD2' ' C ' ' A' ' 35' ' ' ARG . 3.3 tmm_? -39.49 -69.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.0 -32.98 82.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -64.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HA ' HG11 ' A' ' 72' ' ' VAL . 31.1 mt-10 -40.09 -42.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -52.71 -45.2 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 ' CE ' ' A' ' 33' ' ' MET . 46.1 mt -59.22 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.703 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.06 -27.34 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -57.33 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.05 -45.14 95.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -63.46 -177.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -67.04 169.45 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.31 120.57 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.66 6.13 25.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 50' ' ' PHE . 27.8 m -67.17 156.43 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CG ' HD22 ' A' ' 118' ' ' LEU . 30.2 p90 -149.88 171.45 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' HD11 ' A' ' 42' ' ' LEU . 2.4 pp -167.32 176.63 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.925 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.8 t -127.0 114.79 38.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -116.82 152.42 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 59.9 tt0 -96.73 160.51 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -93.66 157.06 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.28 -42.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -52.17 -46.85 65.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -131.48 115.37 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -44.6 -58.28 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.04 79.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -165.42 162.12 19.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' HD11 ' A' ' 23' ' ' LEU . 42.3 m-85 -160.2 169.16 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.71 154.08 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt -116.81 105.36 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -98.82 125.38 44.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.489 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.27 141.39 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 9.6 tptm -88.02 133.04 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -174.15 140.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.2 49.47 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 47.84 25.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.461 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 8.6 mm-40 -153.47 141.4 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.441 HG11 ' HA ' ' A' ' 39' ' ' GLU . 95.6 t -90.15 120.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -95.5 154.85 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 1.2 m-70 -136.99 136.37 38.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 114' ' ' LEU . 4.5 mp -119.82 121.93 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.6 ttpm? -77.97 146.71 35.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.429 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 83.6 mt -121.48 127.27 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.6 mtm -92.86 154.0 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 83' ' ' LEU . 58.2 p -149.83 142.07 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.84 -71.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -111.12 11.87 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.3 25.22 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 79' ' ' THR . 3.4 mm? -105.8 176.39 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 4.5 m-85 -150.81 124.34 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -162.16 141.34 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.4 pt -96.4 -17.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.5 p -144.33 158.0 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.16 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -60.62 -58.74 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -97.56 141.11 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.47 150.31 34.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.7 m-85 -123.68 173.12 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 6.0 ppt_? -99.2 -36.87 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -137.14 153.33 21.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.533 HD23 HD21 ' A' ' 23' ' ' LEU . 62.2 tp -53.93 -42.45 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.486 ' HG1' ' CE1' ' A' ' 26' ' ' HIS . 63.5 m -50.86 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -46.45 -45.29 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 10.3 tt -51.6 -34.1 35.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.576 HG13 ' CD1' ' A' ' 118' ' ' LEU . 68.1 t -88.49 -46.01 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.55 -4.93 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CZ ' ' OD1' ' A' ' 105' ' ' ASN . 92.8 t80 -96.83 -46.2 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -55.01 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -50.28 -21.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -109.17 -29.98 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.454 ' OD1' ' CZ ' ' A' ' 101' ' ' PHE . 8.3 m120 -107.11 109.67 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -56.19 133.24 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 117' ' ' THR . 9.5 mp -62.28 -8.83 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -66.46 -19.95 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.54 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.9 m -101.0 -52.58 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -97.71 158.01 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.503 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -104.41 -16.3 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -78.99 -45.39 20.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.639 HD12 ' HG3' ' B' ' 8' ' ' GLU . 4.4 mt -90.9 100.31 13.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -96.72 29.59 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -147.47 166.1 28.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.402 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.69 163.7 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.591 HD22 ' CG ' ' A' ' 50' ' ' PHE . 31.5 mt -41.79 109.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.15 -50.78 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 2.0 m-85 -143.22 134.0 12.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.439 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.1 Cg_endo -69.75 -178.48 2.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.38 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CE2' ' HG2' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -61.14 -50.79 71.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.452 ' HG2' ' CE2' ' A' ' 122' ' ' PHE . 1.7 mtpm? -71.74 -69.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 125' ' ' PRO . 1.8 pp20? -176.01 153.28 1.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.415 ' O ' ' CD ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.639 ' HG3' HD12 ' A' ' 114' ' ' LEU . 6.4 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -98.52 142.29 24.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 140.44 42.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.503 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.2 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 36.2 mt -53.07 -25.89 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.3 p -38.88 -40.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 26' ' ' HIS . 34.5 m -45.82 -45.46 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.511 ' N ' HG23 ' A' ' 25' ' ' VAL . 52.9 m80 -62.11 151.41 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.84 -5.43 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.6 p-90 -135.55 127.6 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -148.95 146.38 27.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.931 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.59 110.45 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.44 -154.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.78 3.17 2.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 25.2 ttp -33.48 141.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.7 pt-20 -81.34 155.39 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -37.42 -62.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -46.36 44.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.468 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -53.07 -39.31 57.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.47 54.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.3 mt-10 -40.75 -49.93 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 6.8 t -55.53 -42.83 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 42' ' ' LEU . 15.0 mt -60.35 -63.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.548 HD23 HG22 ' A' ' 49' ' ' THR . 5.8 mt -67.51 -5.17 13.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -71.98 -59.17 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.58 -46.88 88.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -49.82 -179.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -79.77 158.51 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -61.59 103.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.96 -0.83 3.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.514 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.548 HG22 HD23 ' A' ' 42' ' ' LEU . 22.7 m -64.95 149.64 49.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.846 ' CG ' HD22 ' A' ' 118' ' ' LEU . 25.1 p90 -145.12 177.96 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 65' ' ' SER . 0.9 OUTLIER -170.53 177.15 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.931 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 t -121.04 116.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 63' ' ' ALA . 11.1 mtm-85 -105.87 165.19 11.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 40.4 tt0 -129.72 156.06 44.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.8 tpt85 -97.2 158.03 15.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.7 -33.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -53.68 -45.96 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -136.37 113.95 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.56 -28.82 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.78 54.24 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -141.25 163.93 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 77' ' ' ILE . 22.2 m-85 -160.22 167.64 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -151.27 157.45 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 77' ' ' ILE . 63.6 mt -128.82 102.32 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' ' 51' ' ' LEU . 32.4 t -100.55 133.96 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.57 145.82 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.425 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.4 tptp -92.95 120.58 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.471 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 3.0 t80 -167.4 138.86 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.2 t-20 72.63 54.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.59 25.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASN . 14.8 mt-10 -156.66 137.6 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' A' ' 39' ' ' GLU . 86.7 t -87.4 123.48 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.592 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 14.8 mmtm -98.19 163.23 12.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.592 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.4 m-70 -152.67 137.2 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.421 HD11 HD11 ' A' ' 114' ' ' LEU . 5.1 mp -125.09 150.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -97.03 147.08 24.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 62' ' ' PHE . 58.7 mt -113.18 156.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.502 ' N ' HG22 ' A' ' 77' ' ' ILE . 40.0 mtm -125.41 160.04 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 83' ' ' LEU . 80.4 p -147.64 125.46 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.88 -74.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -115.5 15.55 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.77 14.04 3.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.599 HD22 ' N ' ' A' ' 83' ' ' LEU . 2.5 mm? -97.39 179.79 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 2.0 m-85 -143.5 121.86 12.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -159.58 130.15 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.497 HG13 HG23 ' A' ' 87' ' ' THR . 18.8 pt -84.29 -24.5 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.497 HG23 HG13 ' A' ' 86' ' ' ILE . 40.3 p -119.4 178.2 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -93.88 -27.18 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -76.51 -55.57 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 12.2 tppt? -85.86 149.51 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -150.05 159.95 44.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.638 ' CD1' HD12 ' A' ' 98' ' ' LEU . 10.0 m-85 -139.48 166.27 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -85.32 -44.39 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.63 154.9 24.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 55.6 tp -48.72 -45.35 39.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 m -49.18 -67.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -44.84 -52.49 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.638 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.1 tt -48.33 -35.06 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.516 HG13 HD13 ' A' ' 118' ' ' LEU . 88.1 t -82.27 -51.93 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -64.4 -5.37 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.514 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 73.6 t80 -97.61 -47.99 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.564 ' CD1' HD23 ' A' ' 107' ' ' LEU . 1.6 m-85 -52.79 -36.26 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.25 -17.99 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -104.39 -34.24 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.62 112.69 25.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -52.99 135.03 37.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 102' ' ' TYR . 88.3 mt -59.21 -13.56 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -67.88 -18.69 64.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.28 -38.32 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.04 -38.12 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' B' ' 10' ' ' PRO . 2.9 m-85 -103.49 163.89 12.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -26.29 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.5 m -83.32 -42.73 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.743 HD11 ' OE2' ' B' ' 8' ' ' GLU . 28.7 mt -82.68 98.71 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -97.69 37.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -153.86 160.76 42.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.07 163.42 19.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.846 HD22 ' CG ' ' A' ' 50' ' ' PHE . 36.3 mt -43.97 110.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -93.48 -44.68 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.0 m-85 -147.42 138.97 13.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 54.1 Cg_endo -69.75 -169.84 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.757 2.305 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -71.36 -34.14 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -92.9 -65.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 14.1 pt-20 -175.18 153.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.726 2.284 . . . . 0.0 112.309 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.743 ' OE2' HD11 ' A' ' 114' ' ' LEU . 12.3 mt-10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -136.15 133.43 19.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.683 0.754 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.486 ' HG3' HG22 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.79 174.3 9.73 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' SER . 23.9 t70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' A' ' 62' ' ' PHE . 19.5 mt -35.8 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ASP . 27.4 t -39.46 -46.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 26' ' ' HIS . 24.2 m -40.18 -44.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.194 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.471 ' N ' HG23 ' A' ' 25' ' ' VAL . 55.0 m80 -63.33 147.19 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.43 -10.3 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 15.3 p-90 -130.28 127.76 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -148.76 151.94 35.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.04 110.92 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.1 -151.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.3 Cg_endo -69.77 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 25.9 ttp -35.37 135.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -80.56 171.85 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -47.68 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.27 -39.69 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.462 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.42 -37.33 94.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.659 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -66.91 -61.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' HA ' HG11 ' A' ' 72' ' ' VAL . 28.2 mt-10 -38.33 -51.98 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.532 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.8 m -43.08 -53.42 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.563 HG22 HD13 ' A' ' 42' ' ' LEU . 76.5 mt -52.56 -70.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -49.74 -24.41 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -70.08 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.54 -41.75 90.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -66.42 -178.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 m -68.18 161.23 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.52 120.67 14.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.9 5.77 23.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.458 HG22 HD12 ' A' ' 42' ' ' LEU . 16.7 m -65.53 157.85 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.958 ' CG ' HD22 ' A' ' 118' ' ' LEU . 18.8 p90 -155.31 167.44 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 2.6 pp -163.27 177.05 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.882 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -123.57 118.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -121.35 155.88 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.468 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 6.4 tt0 -102.53 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 10.1 mtt-85 -93.69 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 m -110.01 -36.55 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -50.07 -38.6 38.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 29.3 t70 -145.82 130.08 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.24 -56.47 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.17 75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -155.83 164.78 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 23' ' ' LEU . 27.6 m-85 -161.5 165.52 28.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.8 164.93 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.7 mt -134.48 115.36 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 m -111.41 130.99 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.522 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.06 144.7 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.5 tptp -90.49 126.55 35.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -171.94 139.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.625 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.8 t-20 69.32 52.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 45.18 25.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -158.38 143.93 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 39' ' ' GLU . 85.3 t -93.88 120.67 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -95.45 152.95 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 35' ' ' ARG . 2.0 m-70 -131.95 147.81 52.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.6 mt -132.01 136.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' HD3' ' NH2' ' A' ' 55' ' ' ARG . 25.5 ttpp -89.53 151.74 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 62' ' ' PHE . 69.3 mt -125.81 145.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 79' ' ' THR . 30.3 mtm -121.66 161.86 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 78' ' ' MET . 41.1 p -157.21 115.33 3.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.33 -66.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -111.42 48.54 0.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.82 31.16 65.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -124.31 133.11 53.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.532 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 5.9 m-85 -102.74 125.57 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -161.98 140.4 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.6 pt -97.65 -16.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.7 p -141.04 161.08 38.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.81 -34.42 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -64.04 -50.58 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.3 tppt? -100.22 147.79 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -152.01 162.38 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -142.6 170.67 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -92.8 -44.13 8.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.04 151.78 21.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 52' ' ' VAL . 21.2 tp -48.06 -49.3 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.6 m -41.87 -56.13 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -61.18 -49.35 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.524 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.7 tt -45.93 -35.15 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.764 HG13 HD13 ' A' ' 118' ' ' LEU . 83.7 t -90.33 -39.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.68 -5.26 36.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 88.7 t80 -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.55 ' HA ' ' ND2' ' A' ' 105' ' ' ASN . 2.2 m-85 -53.23 -32.31 47.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -60.67 -11.34 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -112.75 -15.01 13.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.55 ' ND2' ' HA ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -129.84 109.56 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.409 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 29.5 t -45.43 131.15 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 116' ' ' THR . 17.9 mt -54.98 -19.45 6.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 8.1 pttp -57.59 -22.9 47.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.23 -43.6 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.435 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 63.8 m -96.47 -58.58 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -87.35 160.41 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -47.03 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -57.0 -47.83 79.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.1 mt -79.72 99.89 7.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 3.8 t70 -102.2 31.23 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 107' ' ' LEU . 14.2 t -146.17 155.16 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.409 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -111.56 165.81 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.958 HD22 ' CG ' ' A' ' 50' ' ' PHE . 52.1 mt -47.23 111.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.4 -51.74 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -142.13 136.7 15.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.447 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.75 -166.88 0.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.748 2.298 . . . . 0.0 112.341 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.415 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -73.86 -36.41 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -91.75 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.447 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 10.6 pt-20 -175.1 152.28 1.45 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.75 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -94.48 142.57 24.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.89 63.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 58.4 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.618 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.3 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.705 HD11 ' CE1' ' A' ' 62' ' ' PHE . 14.8 mt -42.91 -24.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' ASP . 56.1 p -48.66 -41.55 31.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 22' ' ' ASP . 16.1 m -42.64 -30.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -80.06 151.84 29.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.0 tp -64.99 -8.6 16.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.819 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 19.9 p-90 -132.4 127.75 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -148.46 147.78 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -152.63 110.43 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.88 -152.72 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.541 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.5 Cg_endo -69.78 6.28 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttm -29.68 137.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -173.52 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' NH1' ' ND1' ' A' ' 74' ' ' HIS . 13.1 tpp180 -61.45 -69.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.14 -27.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.47 -34.65 63.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.687 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -74.21 -62.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.676 ' HA ' HG11 ' A' ' 72' ' ' VAL . 21.1 mt-10 -41.85 -53.51 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.565 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 26.8 t -42.52 -55.11 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.476 HD11 ' HE1' ' A' ' 33' ' ' MET . 85.1 mt -48.74 -70.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.64 -14.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -81.14 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -60.23 -28.88 68.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -78.63 174.26 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -61.51 157.17 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -68.08 114.84 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.73 2.03 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.5 m -66.04 155.55 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.657 ' CG ' HD22 ' A' ' 118' ' ' LEU . 32.5 p90 -151.32 166.96 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 2.1 pp -161.65 175.85 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.928 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.54 112.99 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.546 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -107.24 168.85 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 42.2 tt0 -131.16 154.15 48.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.1 ptm180 -94.0 171.52 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 m -104.59 -29.23 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -59.24 -59.0 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -120.15 110.07 16.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.62 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.76 75.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 62' ' ' PHE . 5.4 tm-20 -169.78 170.13 8.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.705 ' CE1' HD11 ' A' ' 23' ' ' LEU . 33.0 m-85 -163.08 173.66 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.448 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -149.84 163.98 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.485 HG13 HD11 ' A' ' 77' ' ' ILE . 70.6 mt -135.59 107.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 m -106.56 131.4 53.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.489 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -139.59 144.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 12.1 tptm -91.0 133.15 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -175.58 134.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.416 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.7 t-20 71.24 55.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.774 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.0 OUTLIER 40.63 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' ASN . 8.2 mt-10 -156.0 133.23 10.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 39' ' ' GLU . 48.1 t -87.16 125.01 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.556 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 35.5 mmtt -101.44 164.26 11.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -147.41 145.2 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.7 mt -129.75 123.37 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -83.4 130.61 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.539 HD12 ' C ' ' A' ' 62' ' ' PHE . 25.3 mt -98.59 156.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . 0.484 ' N ' HG22 ' A' ' 77' ' ' ILE . 27.8 mtm -132.44 146.2 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.6 p -136.33 138.08 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.08 -74.88 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -108.4 47.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.05 30.58 50.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.7 mt -124.88 144.16 50.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.557 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 2.9 m-85 -113.51 127.76 56.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -161.95 144.36 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.48 HD11 ' OH ' ' A' ' 102' ' ' TYR . 7.6 pt -102.98 -13.92 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.3 p -141.37 160.19 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -74.69 -32.19 62.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -61.72 -59.93 4.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 8.4 tppt? -98.58 147.85 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -144.6 154.65 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -131.71 171.91 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 4.5 ppt_? -98.43 -35.18 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.557 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -144.57 155.22 26.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.461 HD13 HD13 ' A' ' 77' ' ' ILE . 60.2 tp -56.56 -39.4 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -50.1 -55.66 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.82 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.9 tt -49.13 -28.84 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 118' ' ' LEU . 90.2 t -92.96 -43.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.455 ' O ' ' NE2' ' A' ' 104' ' ' GLN . 8.2 mm-40 -71.99 -5.47 35.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.511 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 79.7 t80 -97.38 -50.76 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.6 m-85 -53.32 -32.59 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.445 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 49.0 mt-30 -59.47 -12.53 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 100' ' ' GLU . 1.6 mp0 -112.75 -15.53 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -130.12 109.02 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.432 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 7.7 t -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 102' ' ' TYR . 9.2 mt -58.09 -16.88 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -59.19 -16.86 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -59.26 -36.91 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 64.3 m -104.39 -58.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.439 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 23.1 m-85 -87.18 158.49 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.1 -42.87 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -57.24 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 mt -77.05 96.18 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.48 23.12 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -136.18 -177.28 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -138.76 171.01 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.759 HD13 HG13 ' A' ' 99' ' ' VAL . 48.1 mt -50.51 107.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.421 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 60.9 mt-30 -89.99 -48.49 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.487 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-85 -143.97 136.54 13.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.77 -171.25 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.4 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 1.4 t80 -69.77 -52.4 25.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -67.72 -70.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 3.5 pt-20 -175.17 151.68 1.37 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -107.26 141.02 22.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.21 53.4 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.283 . . . . 0.0 112.314 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 25.4 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.838 0.352 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.617 HD11 ' CE1' ' A' ' 62' ' ' PHE . 17.2 mt -40.62 -30.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 m -40.21 -44.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 26' ' ' HIS . 33.4 m -43.91 -46.38 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.534 ' N ' HG23 ' A' ' 25' ' ' VAL . 45.8 m80 -61.94 146.03 51.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.34 -9.49 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.719 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.0 p-90 -131.52 128.36 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -148.43 140.57 24.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.94 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.49 110.09 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.66 -144.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.8 6.01 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.2 ttp -29.72 137.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.62 175.87 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HD3' ' CD ' ' A' ' 39' ' ' GLU . 5.7 tmm_? -45.33 -68.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.92 -30.28 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.92 -27.72 73.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.623 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -92.65 -60.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 23.8 mt-10 -43.7 -43.97 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -53.0 -37.35 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.592 HG22 HD13 ' A' ' 42' ' ' LEU . 95.4 mt -69.69 -71.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.697 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -54.32 -21.52 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -72.27 -63.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.05 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -62.05 -37.37 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HD3' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -65.34 -179.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 m -67.42 146.56 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.38 108.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.01 7.6 4.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 50' ' ' PHE . 10.0 m -70.25 161.09 30.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 16.6 p90 -156.56 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 65' ' ' SER . 0.9 OUTLIER -163.57 177.2 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.94 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.2 t -118.49 114.73 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 29.7 mtm180 -100.03 169.04 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.479 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 52.7 tt0 -133.42 157.58 45.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.0 mmt180 -94.0 161.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.3 m -106.8 -5.93 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -85.68 -47.35 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' ALA . 5.6 m-20 -135.08 102.87 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.44 -42.86 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.81 69.62 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -169.28 129.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 23' ' ' LEU . 48.4 m-85 -128.8 177.62 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -156.0 165.66 35.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 98' ' ' LEU . 16.4 mt -129.99 118.65 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.635 ' HB2' HD11 ' A' ' 51' ' ' LEU . 50.4 m -113.2 117.28 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.463 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -130.35 141.01 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 15.1 tptm -87.32 137.4 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -174.46 135.36 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.666 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.0 t-20 66.47 51.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 46.31 25.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 5.2 mm-40 -152.39 136.87 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' A' ' 39' ' ' GLU . 18.7 t -94.49 124.65 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.613 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 53.0 mmtt -100.24 170.82 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.613 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -150.58 141.41 22.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.729 HD11 HD23 ' A' ' 107' ' ' LEU . 26.2 mt -121.99 128.33 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -87.67 126.61 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -100.16 135.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.8 mtm -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.6 p -143.1 127.61 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.63 -69.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.52 47.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.94 63.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -123.58 139.55 53.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 0.5 OUTLIER -117.3 128.83 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -162.44 139.23 7.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.507 HG21 HG21 ' A' ' 75' ' ' ILE . 2.9 pt -90.79 -19.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' B' ' 10' ' ' PRO . 11.5 p -140.99 166.55 24.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -75.76 -26.35 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.0 -59.45 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.23 150.24 22.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.16 168.83 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.558 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 20.8 m-85 -140.44 169.53 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.39 -20.65 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.519 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -150.05 152.53 24.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.482 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.718 HD21 HG11 ' A' ' 52' ' ' VAL . 23.2 tp -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.6 m -57.59 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -51.64 -45.87 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.558 ' HG ' ' CE1' ' A' ' 92' ' ' PHE . 7.5 tt -48.66 -42.76 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.4 t -79.83 -45.38 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.78 -5.66 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 43.2 t80 -96.92 -51.16 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.537 ' HA ' ' ND2' ' A' ' 105' ' ' ASN . 2.3 m-85 -47.88 -47.29 31.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.407 ' HG2' ' HB2' ' A' ' 118' ' ' LEU . 72.1 mt-30 -43.2 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 102' ' ' TYR . 9.6 mt-30 -102.73 -35.81 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.549 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -104.84 114.15 28.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.407 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 9.1 t -61.92 136.09 57.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.729 HD23 HD11 ' A' ' 75' ' ' ILE . 7.5 mp -59.42 -10.42 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -64.85 -16.9 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.34 -47.81 46.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 40.6 m -95.11 -50.2 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.412 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.4 m-85 -95.73 123.31 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -15.34 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.2 m -78.22 -53.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.723 HD13 ' CD2' ' A' ' 107' ' ' LEU . 3.0 mt -82.87 114.71 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -105.34 24.43 12.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -141.31 163.89 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -115.13 174.18 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 1.8 mp -61.22 109.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.485 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 25.6 mm-40 -87.95 -49.2 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.2 m-85 -142.9 138.39 15.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.22 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.404 ' CE2' ' HG2' ' A' ' 123' ' ' LYS . 0.7 OUTLIER -75.39 -40.17 58.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.404 ' HG2' ' CE2' ' A' ' 122' ' ' PHE . 3.4 mtpm? -85.03 -65.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -175.04 151.28 1.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.548 ' HG3' HD12 ' A' ' 114' ' ' LEU . 3.8 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -112.23 138.9 21.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.419 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.5 Cg_endo -69.79 163.03 39.82 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LEU . 17.4 t70 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD11 ' CE1' ' A' ' 62' ' ' PHE . 24.4 mt -51.39 -18.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -52.64 -37.51 58.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.7 m -51.7 -17.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.171 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -92.39 147.04 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 27' ' ' LEU . 7.0 tp -59.31 -9.61 2.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 12.3 p-90 -131.87 127.65 36.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.65 146.11 28.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.923 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -151.31 110.56 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.4 -155.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.79 4.76 2.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.571 ' HE1' HD12 ' A' ' 41' ' ' ILE . 8.1 ttp -32.53 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -85.5 174.43 9.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 8.1 tmm_? -55.16 -61.69 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -32.51 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.461 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -72.13 -30.16 65.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.65 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -76.91 -63.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HA ' HG11 ' A' ' 72' ' ' VAL . 17.0 mt-10 -38.24 -53.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.8 t -45.39 -52.17 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.571 HD12 ' HE1' ' A' ' 33' ' ' MET . 34.3 mt -48.05 -70.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.731 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.98 -26.96 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -69.07 -62.2 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -49.8 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -175.22 -176.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.83 104.23 16.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.81 -1.58 9.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 50' ' ' PHE . 10.2 m -64.94 160.25 21.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.786 ' CG ' HD22 ' A' ' 118' ' ' LEU . 21.0 p90 -152.91 168.52 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.557 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 pp -161.18 177.11 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.923 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.94 117.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 8.8 mtm-85 -108.53 164.2 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.479 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 53.1 tt0 -115.39 159.99 20.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 ttm180 -93.72 172.7 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 -33.42 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.45 -46.68 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.468 ' CB ' ' OE1' ' A' ' 61' ' ' GLU . 20.3 m-20 -142.48 131.75 23.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.4 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . . . -78.48 57.72 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' OE1' ' CB ' ' A' ' 58' ' ' ASP . 17.1 mp0 -151.22 161.53 42.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.765 ' CE1' HD11 ' A' ' 23' ' ' LEU . 38.2 m-85 -162.85 175.04 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.82 164.08 38.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.462 HG13 HD11 ' A' ' 77' ' ' ILE . 71.7 mt -134.95 100.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 32.1 t -93.97 141.83 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.523 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -146.92 144.41 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.5 tptp -92.79 132.9 36.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.44 ' HB2' HG21 ' A' ' 116' ' ' THR . 5.4 t80 -175.15 137.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.665 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.9 t-20 66.21 52.21 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.25 24.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -154.17 138.04 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 39' ' ' GLU . 43.5 t -97.14 119.38 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.513 ' CG ' HD11 ' A' ' 114' ' ' LEU . 24.0 mmtt -95.44 167.72 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -137.77 140.66 40.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.51 HG12 ' CG ' ' B' ' 8' ' ' GLU . 7.8 mt -121.39 115.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -78.34 141.54 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.694 HD13 HD13 ' A' ' 95' ' ' LEU . 57.5 mt -113.57 131.43 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 31.9 mtm -104.09 148.95 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 p -144.64 131.73 20.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.06 -58.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -116.65 44.24 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.52 31.29 61.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.4 HD22 ' O ' ' A' ' 92' ' ' PHE . 37.8 mt -123.7 145.42 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.518 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 2.3 m-85 -114.15 121.51 43.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -154.0 141.74 20.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.035 HD12 HG23 ' A' ' 87' ' ' THR . 2.1 pp -101.67 -13.23 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.035 HG23 HD12 ' A' ' 86' ' ' ILE . 1.4 p -148.81 127.03 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -42.77 -24.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 87' ' ' THR . 25.3 mmmt -68.66 -51.5 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.477 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 5.6 tppp? -100.61 146.78 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -148.86 134.23 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -116.22 172.66 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.57 -31.67 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.02 141.94 9.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.694 HD13 HD13 ' A' ' 77' ' ' ILE . 47.5 tp -43.93 -42.63 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.3 m -44.75 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.11 -51.98 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 92' ' ' PHE . 6.1 tt -43.93 -37.71 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.747 HG13 ' CD1' ' A' ' 118' ' ' LEU . 93.0 t -85.68 -47.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.2 -5.24 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.526 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 75.6 t80 -97.23 -49.56 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.624 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.5 m-85 -53.04 -31.6 42.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -60.55 -11.24 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -115.04 -14.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -130.38 109.81 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -45.97 134.11 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.624 HD23 ' CE1' ' A' ' 102' ' ' TYR . 14.1 mt -60.37 -15.85 29.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 6.5 ptmt -56.12 -22.46 28.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.96 -31.62 41.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 13.3 m -120.85 -48.68 2.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' B' ' 8' ' ' GLU . 2.7 m-85 -92.18 85.5 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -41.49 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -57.49 -54.21 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 73' ' ' LYS . 5.9 mp -79.72 100.25 7.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 6.4 t70 -96.79 34.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.483 ' O ' HD12 ' A' ' 107' ' ' LEU . 13.9 t -141.2 157.33 45.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.65 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.786 HD22 ' CG ' ' A' ' 50' ' ' PHE . 60.4 mt -43.12 109.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.87 -51.99 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -142.32 138.66 16.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.411 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.75 -166.44 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -72.77 -51.8 17.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.409 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 33.0 mttt -69.86 -69.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.87 150.76 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.574 ' HG2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.836 0.351 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -134.98 133.38 20.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.417 ' HB3' HG21 ' A' ' 87' ' ' THR . 53.8 Cg_endo -69.76 177.17 5.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 24' ' ' SER . 23.7 t0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD11 ' CE1' ' A' ' 62' ' ' PHE . 20.1 mt -43.77 -22.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 22' ' ' ASP . 36.6 p -45.74 -43.48 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 26' ' ' HIS . 28.4 m -42.67 -40.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.413 ' N ' HG23 ' A' ' 25' ' ' VAL . 64.7 m80 -69.02 152.5 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.7 tp -66.2 -3.45 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.765 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 13.6 p-90 -138.0 127.27 24.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -149.6 145.06 26.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.39 109.89 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -154.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.77 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.1 ttp -31.24 143.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.78 160.69 28.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.3 tmm_? -43.47 -62.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -31.53 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -64.88 -34.19 89.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.894 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -77.24 -60.66 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.625 ' HA ' HG11 ' A' ' 72' ' ' VAL . 25.8 mt-10 -38.12 -57.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.2 t -49.57 -46.62 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.521 HG22 HD13 ' A' ' 42' ' ' LEU . 89.7 mt -55.62 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -49.65 -17.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -82.24 -63.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -61.82 -25.88 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -176.1 169.46 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.93 97.68 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.41 4.76 5.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -72.48 153.86 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.764 ' CG ' HD22 ' A' ' 118' ' ' LEU . 10.9 p90 -148.25 169.23 20.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 65' ' ' SER . 1.1 pt? -162.83 177.26 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.891 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -120.82 117.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 4.9 mtm105 -105.01 170.06 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 43.1 tt0 -128.76 158.88 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 tpt180 -96.22 150.17 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 m -86.77 -40.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -52.36 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.17 137.65 26.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.68 41.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.21 42.61 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 19.7 mp0 -158.15 175.34 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.688 ' CE1' HD11 ' A' ' 23' ' ' LEU . 60.9 m-85 -162.24 176.12 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.06 164.37 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mt -133.1 101.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.677 ' HB2' HD21 ' A' ' 51' ' ' LEU . 70.0 m -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.51 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.93 143.04 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 66' ' ' ILE . 20.1 tptm -88.51 128.63 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CZ ' ' OD1' ' A' ' 115' ' ' ASP . 1.0 OUTLIER -164.72 136.89 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.666 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.2 t-20 62.85 52.66 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.43 25.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.46 132.49 15.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 39' ' ' GLU . 24.6 t -92.07 118.49 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.53 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.1 mmtt -94.38 172.11 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.53 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -148.89 139.06 22.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.467 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.2 mp -120.74 130.67 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -85.05 136.23 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.423 HD13 HD13 ' A' ' 95' ' ' LEU . 55.9 mt -108.47 131.95 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.5 mtm -104.15 154.83 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 83' ' ' LEU . 20.5 p -151.09 134.78 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.0 -68.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -110.43 49.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.98 27.79 68.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' THR . 64.8 mt -117.89 145.71 44.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.325 . . . . 0.0 110.973 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 8.0 m-85 -117.77 124.05 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -160.82 139.37 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.714 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -101.23 -13.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.714 HG23 HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -148.48 125.87 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -44.19 -28.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -56.78 -53.32 59.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 29.7 tptt -113.74 140.59 48.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.06 44.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 1.6 m-85 -122.91 168.94 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -87.11 -49.02 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.433 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -132.58 153.45 20.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.423 HD13 HD13 ' A' ' 77' ' ' ILE . 59.8 tp -50.65 -41.78 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.2 m -48.34 -62.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.32 -53.87 38.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 6.7 tt -43.12 -38.8 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.768 HG13 ' CD1' ' A' ' 118' ' ' LEU . 85.7 t -81.6 -46.6 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.62 -5.33 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -96.23 -47.94 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.7 m-85 -53.53 -44.25 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -44.31 -21.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.1 mp0 -106.93 -28.71 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -111.09 112.22 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 t -48.47 131.38 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.932 HD12 ' O ' ' A' ' 116' ' ' THR . 8.8 mt -52.57 -15.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -62.84 -23.59 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.27 -41.81 63.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.8 m -99.45 -59.43 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.514 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 50.7 m-85 -84.59 168.71 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -101.83 -59.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -47.86 -53.9 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.81 103.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.55 ' OD1' ' CZ ' ' A' ' 68' ' ' TYR . 0.6 OUTLIER -104.0 14.33 30.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.932 ' O ' HD12 ' A' ' 107' ' ' LEU . 13.4 t -136.71 156.51 48.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.99 166.9 10.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.768 ' CD1' HG13 ' A' ' 99' ' ' VAL . 43.4 mt -45.78 112.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.37 -51.69 5.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -140.36 134.62 15.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.4 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 53.8 Cg_endo -69.74 178.92 4.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.476 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 1.2 t80 -59.63 -48.95 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.476 ' HG2' ' CD2' ' A' ' 122' ' ' PHE . 14.5 mtpt -72.32 -70.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.488 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 6.1 pt-20 -176.15 152.58 1.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.294 . . . . 0.0 112.332 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.838 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -101.34 135.61 19.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.401 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.9 Cg_endo -69.76 155.23 66.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.508 ' ND2' ' C ' ' A' ' 111' ' ' PHE . 7.2 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.814 ' O ' HG22 ' A' ' 25' ' ' VAL . 34.6 t0 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.872 0.368 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.93 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 27.3 mt -53.28 -20.82 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 p -52.86 -35.6 57.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 22' ' ' ASP . 15.0 m -50.01 -27.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -81.92 153.12 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.96 -3.68 7.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.686 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 19.9 p-90 -137.44 127.59 26.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -149.68 145.77 26.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.98 110.57 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.07 -151.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.0 Cg_endo -69.69 4.31 2.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.483 ' HE1' HD12 ' A' ' 41' ' ' ILE . 12.6 ttp -32.72 133.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.1 pt-20 -69.82 154.19 42.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.4 tmm_? -34.97 -64.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.65 28.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -47.56 -34.59 9.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.543 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -79.29 -51.17 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.65 ' HA ' HG21 ' A' ' 72' ' ' VAL . 41.1 mt-10 -38.49 -54.1 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -50.97 -50.15 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.483 HD12 ' HE1' ' A' ' 33' ' ' MET . 15.2 mt -54.51 -59.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.429 ' CB ' ' HB2' ' A' ' 67' ' ' LYS . 6.5 mt -70.79 -14.59 62.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -76.91 -62.51 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -58.32 -42.25 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 45' ' ' ARG . 1.6 mpt_? -60.21 -174.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -78.0 147.44 34.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.21 104.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.67 -1.83 2.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.42 ' C ' HD22 ' A' ' 42' ' ' LEU . 17.6 m -66.42 156.87 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.122 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CZ ' ' OE1' ' A' ' 103' ' ' GLN . 17.9 p90 -149.81 175.22 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -170.18 177.44 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.686 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 2.4 t -123.14 105.27 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.543 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 12.1 mtm105 -96.88 169.2 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.466 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 29.8 tt0 -126.89 155.15 43.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 39.1 mtt-85 -93.85 156.04 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.0 -35.62 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -45.77 -46.91 15.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -152.77 119.42 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.0 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.05 47.31 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.03 141.7 16.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.93 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 42.5 m-85 -129.77 173.19 10.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.03 141.58 19.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.963 HG13 HD11 ' A' ' 77' ' ' ILE . 49.2 mt -107.25 108.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.486 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 10.5 t -105.82 118.48 36.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.508 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -126.53 142.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 42' ' ' LEU . 15.2 tptm -91.75 125.2 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.435 ' HB2' HG21 ' A' ' 116' ' ' THR . 2.2 t80 -162.76 134.96 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.603 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.0 t-20 71.62 52.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.1 m 44.45 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -149.14 136.32 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' A' ' 39' ' ' GLU . 97.6 t -89.95 124.92 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 47.5 mmtt -106.18 162.97 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.486 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -148.0 144.88 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.442 ' CD1' HD23 ' A' ' 107' ' ' LEU . 36.9 mt -129.91 135.03 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -85.25 128.45 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 64' ' ' ILE . 41.8 mt -104.29 132.17 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 69.4 mtm -96.26 164.41 12.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -137.17 136.45 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.484 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -137.71 109.82 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 48.8 45.69 21.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.63 53.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 80' ' ' ALA . 30.2 mt -106.73 -179.69 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 27.9 m-85 -152.87 120.6 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -158.35 136.42 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.046 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -99.15 -11.97 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.046 HG23 HD12 ' A' ' 86' ' ' ILE . 8.1 p -144.21 136.59 26.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.44 -21.48 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -79.01 -52.55 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.597 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -89.7 151.99 21.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.566 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -155.31 156.58 35.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.597 ' CE1' ' HG3' ' A' ' 90' ' ' LYS . 1.2 m-85 -143.26 173.98 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -95.49 -38.82 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.84 153.71 22.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 62' ' ' PHE . 62.7 tp -51.47 -48.56 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -46.77 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 97' ' ' GLU . 6.6 mp0 -41.47 -45.14 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.482 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.2 tt -55.52 -42.46 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.602 HG21 ' CH2' ' A' ' 28' ' ' TRP . 96.8 t -77.43 -53.67 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.64 -6.88 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.408 ' CB ' ' O ' ' A' ' 97' ' ' GLU . 48.8 t80 -94.62 -49.94 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.45 -38.12 65.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.626 ' OE1' ' CZ ' ' A' ' 50' ' ' PHE . 3.5 mt-30 -52.7 -15.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.91 -31.29 7.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -104.45 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -56.63 123.12 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 75' ' ' ILE . 8.4 mp -55.26 -17.27 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.47 -21.31 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.35 -33.99 70.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.35 -60.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.716 ' CE2' HD13 ' A' ' 86' ' ' ILE . 77.5 m-85 -99.53 92.4 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.44 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -46.29 -22.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.2 m -66.48 -52.26 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.12 91.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -85.94 39.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 68' ' ' TYR . 13.7 t -155.45 159.64 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -112.18 170.89 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mp -57.51 111.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.531 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 33.9 mm-40 -88.99 -47.58 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.7 m-85 -145.7 137.81 13.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.442 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.76 -168.09 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.1 -36.1 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -90.05 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.442 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.5 pt-20 -174.75 149.81 1.31 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.89 0.376 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -108.38 128.93 24.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.34 63.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.44 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' VAL . 62.3 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.6 HD21 HD23 ' A' ' 95' ' ' LEU . 17.7 mt -44.95 -25.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -52.37 -46.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 22' ' ' ASP . 21.3 m -39.95 -36.49 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -74.17 155.5 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.1 mt -69.24 -1.34 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CE2' HG11 ' A' ' 99' ' ' VAL . 16.4 p-90 -139.0 125.99 21.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -150.88 147.3 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.97 109.5 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.35 -154.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.2 Cg_endo -69.68 6.55 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.6 ttp -34.41 152.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.37 175.25 8.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 7.4 tmm_? -54.47 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -46.44 -35.03 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.04 -30.5 77.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.832 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . . . -76.27 -66.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 17.9 mt-10 -41.64 -42.2 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 t -53.99 -44.67 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.51 -71.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.722 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -56.34 -13.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -82.66 -56.48 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -70.42 -32.32 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 7.1 mpt_? -74.08 176.15 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 m -56.58 163.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.76 120.62 21.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.11 6.06 24.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.2 m -66.61 157.86 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.793 ' CG ' HD22 ' A' ' 118' ' ' LEU . 17.0 p90 -152.4 171.58 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.526 HD11 HH21 ' A' ' 53' ' ' ARG . 1.8 pp -170.19 177.43 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.907 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -122.95 121.41 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.832 ' CZ ' ' HB2' ' A' ' 38' ' ' ALA . 3.3 ptp180 -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 50.4 tt0 -91.41 159.17 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 23.5 mtp180 -96.51 141.92 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.0 m -90.29 -37.77 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -45.47 -39.74 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -157.34 115.25 3.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.87 177.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 61' ' ' GLU . . . 60.68 48.6 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 40.6 mt-10 -163.67 122.94 2.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 23' ' ' LEU . 53.0 m-85 -113.7 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 75' ' ' ILE . . . -154.63 161.33 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 mt -128.71 108.25 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.0 m -101.44 125.68 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.529 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -132.16 145.7 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 66' ' ' ILE . 11.4 tptp -91.69 126.38 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -169.95 143.88 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.651 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.42 52.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 45.91 25.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -156.85 152.17 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 39' ' ' GLU . 88.3 t -97.32 123.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.506 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 62.5 mmtt -96.0 155.02 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.506 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.3 m-70 -142.61 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' A' ' 114' ' ' LEU . 48.2 mt -126.89 141.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -94.79 137.59 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 62' ' ' PHE . 49.9 mt -108.02 138.26 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.9 mtm -111.11 146.09 37.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 83' ' ' LEU . 70.7 p -141.7 139.97 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.5 -71.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.9 48.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.16 62.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 93' ' ' ARG . 14.7 mt -117.77 150.46 39.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 1.1 m-85 -121.89 124.93 45.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -159.0 129.9 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.02 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -88.89 -9.87 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.02 HG23 HD12 ' A' ' 86' ' ' ILE . 5.9 p -144.5 164.01 32.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -79.59 -35.73 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.4 -50.97 65.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 7.6 tmtm? -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.53 161.68 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 6.7 m-85 -130.94 171.98 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.535 ' HA ' HD23 ' A' ' 83' ' ' LEU . 22.6 mtt180 -94.96 -38.59 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.27 164.35 25.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.6 HD23 HD21 ' A' ' 23' ' ' LEU . 41.5 tp -58.77 -49.78 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 m -46.14 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -44.52 -52.79 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.6 tt -50.46 -28.93 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.617 HG11 ' CE2' ' A' ' 28' ' ' TRP . 55.7 t -87.58 -48.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.47 -5.25 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.414 ' CE1' ' OD1' ' A' ' 105' ' ' ASN . 89.3 t80 -94.91 -48.83 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.14 -39.05 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.42 -21.15 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -108.99 -28.2 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.414 ' OD1' ' CE1' ' A' ' 101' ' ' PHE . 6.3 m120 -110.96 112.1 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -55.28 141.41 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.729 ' CD2' HD13 ' A' ' 114' ' ' LEU . 10.1 mp -66.44 -12.76 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -67.37 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.94 -40.52 78.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.62 -42.24 6.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.616 ' HE1' HD13 ' A' ' 86' ' ' ILE . 6.3 m-85 -101.35 169.92 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 -17.26 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 t -86.0 -35.72 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 107' ' ' LEU . 8.9 mt -94.07 102.73 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.32 27.28 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -147.27 155.04 41.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.495 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -112.16 159.81 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.793 HD22 ' CG ' ' A' ' 50' ' ' PHE . 36.3 mt -39.6 105.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 43.5 mt-30 -85.52 -49.25 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 4.4 m-85 -145.2 133.89 10.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -164.03 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.73 -51.24 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 12.5 mmtt -56.68 -69.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -172.37 153.66 2.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 t -138.74 137.62 20.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.46 49.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.701 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 HD23 ' A' ' 95' ' ' LEU . 40.1 mt -44.51 -22.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 22' ' ' ASP . 35.1 p -49.61 -41.36 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 22' ' ' ASP . 11.3 m -45.58 -28.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -80.7 149.7 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.642 HD22 ' OE2' ' A' ' 124' ' ' GLU . 14.8 mt -63.61 -8.57 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.693 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.9 p-90 -132.11 127.17 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -150.1 149.28 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.02 110.79 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.67 -156.11 0.13 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 8.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -34.59 152.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.21 175.63 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 18.5 tpp85 -53.22 -65.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -36.9 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.9 -34.35 89.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.738 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . . . -71.9 -66.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 24.7 mt-10 -41.54 -42.49 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -53.04 -42.39 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.467 HG22 HD13 ' A' ' 42' ' ' LEU . 90.2 mt -63.23 -72.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.719 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -56.48 -12.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -76.97 -63.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -64.5 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -179.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 m -65.57 169.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -79.02 120.92 24.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.19 9.49 23.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.433 HG22 HD12 ' A' ' 42' ' ' LEU . 10.0 m -69.35 157.16 37.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.616 ' CG ' HD22 ' A' ' 118' ' ' LEU . 20.8 p90 -151.44 174.02 13.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.2 pp -169.91 177.28 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.771 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.9 t -124.89 114.78 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.738 ' CZ ' ' HB2' ' A' ' 38' ' ' ALA . 2.6 ptp180 -121.0 142.44 49.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.486 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.4 tt0 -96.48 160.22 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.486 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 1.9 mmp_? -93.61 146.04 24.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -97.96 -31.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -39.0 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.73 105.48 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -47.06 173.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 59' ' ' ALA . . . 71.51 31.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -149.81 119.5 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 54' ' ' GLN . 32.2 m-85 -110.84 172.94 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.15 149.46 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.5 mt -118.04 111.41 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.62 127.13 49.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.478 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.66 142.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 10.0 tptm -85.03 127.87 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HB2' HG21 ' A' ' 116' ' ' THR . 2.9 t80 -167.18 141.91 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.719 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 64.18 50.81 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.92 25.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.474 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 4.0 mm-40 -154.61 146.99 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 39' ' ' GLU . 92.4 t -93.07 120.69 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 56.1 mmtt -94.77 160.95 14.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -146.24 136.2 23.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.538 HG12 ' CE2' ' A' ' 111' ' ' PHE . 38.6 mt -120.54 142.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -93.67 135.64 34.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.83 147.88 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtm -125.29 153.61 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.4 p -145.45 136.81 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.87 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -117.77 45.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.61 22.34 53.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -116.77 135.96 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 3.6 m-85 -107.68 126.1 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -162.3 132.38 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.494 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 5.6 pt -91.95 -18.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -136.85 161.24 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.55 -30.47 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -58.92 -55.02 40.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.2 tmtt? -110.18 140.01 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.481 ' N ' ' HD3' ' A' ' 90' ' ' LYS . . . -134.98 156.4 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 16.2 m-85 -128.81 174.59 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -25.95 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -143.36 128.91 3.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.459 HD23 HD21 ' A' ' 23' ' ' LEU . 22.6 tp -36.53 -49.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.912 0.386 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.3 m -47.59 -59.82 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -50.69 -44.7 57.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 98' ' ' LEU . 8.5 tt -55.15 -28.15 50.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.69 HG13 HD13 ' A' ' 118' ' ' LEU . 94.4 t -91.05 -50.96 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.05 -5.41 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.655 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 89.4 t80 -96.49 -50.53 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.61 ' CE1' HD23 ' A' ' 107' ' ' LEU . 2.5 m-85 -50.96 -39.88 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -49.16 -20.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -103.93 -32.03 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.655 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -110.93 111.91 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -49.81 133.65 21.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.61 HD23 ' CE1' ' A' ' 102' ' ' TYR . 12.7 mt -59.71 -20.74 58.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 13.5 pttt -55.6 -24.45 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -54.52 -29.82 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 77.8 m -113.53 -48.5 2.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.538 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.7 m-85 -102.55 94.42 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -23.95 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.3 p -69.11 -32.96 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.514 HD11 ' HD2' ' A' ' 73' ' ' LYS . 3.9 mp -101.77 101.36 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 10.6 t70 -92.0 29.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.418 HG21 ' HB2' ' A' ' 68' ' ' TYR . 14.8 t -142.34 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -136.83 172.02 13.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.69 HD13 HG13 ' A' ' 99' ' ' VAL . 36.2 mt -51.64 107.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.427 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 77.1 mt-30 -93.73 -47.18 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.5 m-85 -144.62 137.79 13.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.443 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.79 -166.61 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -76.25 -36.24 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -91.38 -64.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.642 ' OE2' HD22 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -175.42 147.0 0.94 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.727 2.285 . . . . 0.0 112.373 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -108.49 141.05 22.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 175.11 8.53 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD11 ' CE1' ' A' ' 62' ' ' PHE . 20.7 mt -45.48 -27.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.0 t -40.89 -44.05 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 26' ' ' HIS . 22.3 m -43.23 -45.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.53 ' N ' HG23 ' A' ' 25' ' ' VAL . 47.4 m80 -63.62 146.61 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.62 -8.82 3.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.799 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 13.7 p-90 -131.63 127.7 37.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -148.81 142.07 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.82 109.78 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.65 -145.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.75 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 ttp -31.78 120.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . 13.3 pt-20 -72.07 167.26 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.0 tmm_? -35.69 -69.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.16 47.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' HG2' ' A' ' 33' ' ' MET . . . -52.11 -32.75 36.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.759 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -86.86 -56.35 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.708 0.289 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 40.5 mt-10 -43.23 -44.14 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -55.25 -35.25 64.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.477 HG22 HD13 ' A' ' 42' ' ' LEU . 96.7 mt -70.79 -74.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.57 -16.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -69.76 -40.05 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -86.0 -40.37 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 9.0 mmm180 -60.27 168.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 t -58.96 164.32 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.39 112.66 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.16 2.58 10.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.534 HG22 HD12 ' A' ' 42' ' ' LEU . 25.0 m -64.44 156.11 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.688 ' CD2' HD22 ' A' ' 118' ' ' LEU . 17.7 p90 -152.28 174.44 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 65' ' ' SER . 1.6 pp -165.94 175.04 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.939 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -118.13 113.93 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.759 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 22.3 mtm105 -101.64 168.35 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 38.8 tt0 -135.52 158.81 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.6 tpp180 -93.92 127.89 39.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 p -76.48 -31.23 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -58.87 -40.95 85.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.1 128.39 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.37 40.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.07 41.88 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -169.93 173.35 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CE1' HD11 ' A' ' 23' ' ' LEU . 31.0 m-85 -155.1 177.93 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.55 162.0 41.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.85 104.7 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.509 ' HB3' HD11 ' A' ' 51' ' ' LEU . 21.3 t -96.27 140.91 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.511 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -149.61 143.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.3 tptm -89.69 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -166.71 140.86 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.691 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 63.53 51.58 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 69' ' ' ASN . 6.3 m 47.15 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -152.88 142.12 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.34 118.89 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -98.4 172.78 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -142.73 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.512 HG12 ' CG ' ' B' ' 8' ' ' GLU . 10.6 mt -119.87 115.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -78.89 144.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.465 HD13 HD13 ' A' ' 95' ' ' LEU . 53.8 mt -114.92 137.43 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -105.27 157.51 17.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.4 p -151.64 128.96 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.46 -58.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -115.97 44.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.15 33.48 62.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -122.67 159.05 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -125.62 125.52 43.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -162.57 148.77 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.647 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -108.16 -16.05 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.647 HG23 HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -149.11 130.95 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -46.25 -24.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -61.56 -51.83 66.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.29 143.87 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.84 144.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 98' ' ' LEU . 1.7 m-85 -124.53 170.92 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -22.02 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.35 147.46 17.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.465 HD13 HD13 ' A' ' 77' ' ' ILE . 33.7 tp -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.8 m -48.04 -52.08 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.1 tt -49.78 -33.61 16.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 118' ' ' LEU . 60.0 t -87.97 -42.88 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.17 -6.81 36.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.538 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 74.1 t80 -96.73 -47.48 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -52.55 -39.16 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -51.91 -17.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.76 -12.62 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.538 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 11.7 m-80 -126.24 108.49 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -51.75 152.18 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 117' ' ' THR . 8.9 mp -85.53 -16.39 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -56.28 -17.92 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.32 -49.46 60.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 11' ' ' ASN . 24.8 m -94.45 -46.6 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 21.9 m-85 -91.72 133.33 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -81.53 -43.48 18.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.2 t -65.35 -46.91 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.6 110.77 15.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -109.02 33.47 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 107' ' ' LEU . 14.7 t -153.59 174.76 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.813 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -129.57 166.07 20.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.706 ' CD1' HG13 ' A' ' 99' ' ' VAL . 24.1 mt -46.64 108.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.444 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -89.65 -51.14 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.81 135.22 13.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.81 -169.02 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -72.42 -32.7 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -93.43 -65.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 3.3 pt-20 -172.74 150.53 2.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 0.0 112.38 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.512 ' CG ' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -137.54 135.99 19.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.633 0.73 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.55 24.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 110' ' ' CYS . 11.6 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.903 0.383 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 87.8 mt -53.51 -24.35 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -55.09 -35.45 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 22' ' ' ASP . 19.5 m -59.2 -29.91 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -74.56 144.51 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.88 -10.9 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.831 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 27.9 p-90 -130.24 127.02 38.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -149.81 142.43 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.956 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.57 110.24 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 32' ' ' PRO . . . -71.61 -143.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.1 Cg_endo -69.71 5.65 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.657 2.238 . . . . 0.0 112.382 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 41' ' ' ILE . 31.0 ttm -30.7 142.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -83.75 162.36 20.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 13.9 tpt180 -42.84 -57.14 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.72 -41.64 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -60.42 -37.93 93.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.581 ' HB2' ' HD2' ' A' ' 53' ' ' ARG . . . -71.09 -52.77 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.069 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.645 ' HA ' HG11 ' A' ' 72' ' ' VAL . 35.5 mt-10 -58.54 -48.48 80.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -57.07 -39.46 75.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.576 HD12 ' SD ' ' A' ' 33' ' ' MET . 15.2 mt -63.88 -62.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.501 HD22 ' C ' ' A' ' 49' ' ' THR . 3.3 mt -69.85 1.5 4.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -82.97 -41.85 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -75.83 -38.95 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.484 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.8 mmm180 -60.65 -173.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.5 m -83.83 147.29 27.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.64 100.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.91 -7.24 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.501 ' C ' HD22 ' A' ' 42' ' ' LEU . 20.1 m -65.79 146.48 54.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.598 ' CE2' HD13 ' A' ' 118' ' ' LEU . 26.5 p90 -138.37 -179.93 6.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 65' ' ' SER . 1.3 pp -170.57 177.18 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.956 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.48 114.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.581 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 46.1 mtp180 -106.53 160.29 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -120.63 159.12 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -94.87 150.56 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -87.74 -41.61 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -45.45 -41.23 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.35 135.1 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.14 40.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.91 30.41 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -149.68 170.14 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 31.3 m-85 -151.39 177.52 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.83 149.5 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.782 HG13 HD11 ' A' ' 77' ' ' ILE . 42.1 mt -120.46 98.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.487 ' HB3' HD11 ' A' ' 51' ' ' LEU . 12.5 t -97.66 132.87 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.504 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -138.38 142.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 66' ' ' ILE . 7.9 tptp -87.8 120.23 28.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 2.6 t80 -164.16 137.87 5.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.3 t-20 73.46 54.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 69' ' ' ASN . 4.9 m 43.21 26.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -157.77 143.55 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' HA ' ' A' ' 39' ' ' GLU . 97.6 t -92.54 116.84 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.557 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 31.7 mmtt -95.01 161.56 14.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.581 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -146.02 146.19 30.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.5 mt -135.11 140.32 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -85.21 152.45 23.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.782 HD11 HG13 ' A' ' 64' ' ' ILE . 82.4 mt -123.26 124.43 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 49.0 mtm -91.14 168.72 11.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -142.46 135.58 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -135.55 112.25 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 46.18 46.84 13.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.97 24.84 51.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.638 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 22.2 mt -106.93 -179.47 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 16.5 m-85 -153.91 125.78 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.21 130.46 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.66 HG22 HG12 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -84.68 -16.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 p -150.58 133.35 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -48.93 -24.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -57.52 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -117.47 147.33 42.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.567 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -131.2 164.24 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.799 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.6 m-85 -146.34 173.74 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -91.51 -40.23 11.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.563 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -141.83 161.19 27.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.504 HD21 HG11 ' A' ' 52' ' ' VAL . 46.6 tp -54.47 -43.0 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.5 m -59.26 -62.3 1.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -41.74 -42.42 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.799 HD12 ' CD1' ' A' ' 92' ' ' PHE . 10.6 tt -67.78 -32.51 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 28' ' ' TRP . 15.3 t -78.82 -56.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.74 -6.09 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.666 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 82.4 t80 -94.4 -46.16 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.3 m-85 -56.24 -35.51 67.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 99' ' ' VAL . 60.5 mt-30 -50.59 -17.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.09 -36.55 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.666 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -104.79 112.83 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -47.25 135.91 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 102' ' ' TYR . 37.2 mt -56.81 -20.31 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -58.05 -23.44 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.37 -35.9 52.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.2 m -112.31 -60.67 1.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -93.4 105.58 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -50.91 -48.02 60.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.9 p -42.75 -55.24 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' B' ' 8' ' ' GLU . 4.5 mm? -75.89 97.08 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 54.1 m-20 -92.35 23.49 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -146.22 164.48 32.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 163.03 16.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.598 HD13 ' CE2' ' A' ' 50' ' ' PHE . 18.6 mt -42.01 107.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.437 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 29.2 mm-40 -86.62 -51.12 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 6.0 m-85 -143.78 140.44 17.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.1 Cg_endo -69.78 174.24 9.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.36 -52.23 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -66.84 -72.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.414 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 7.3 pt-20 -175.69 140.53 0.59 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.449 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.0 mm-40 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.848 0.356 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -101.81 132.72 21.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 159.37 53.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' HG22 ' A' ' 25' ' ' VAL . 15.0 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 95' ' ' LEU . 42.0 mt -48.74 -23.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.6 t -48.4 -41.33 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 26' ' ' HIS . 33.9 m -47.09 -44.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.494 ' N ' HG23 ' A' ' 25' ' ' VAL . 96.5 m-70 -66.5 153.08 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 10.8 mt -66.46 -6.97 16.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.9 p-90 -132.01 126.04 32.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -150.34 136.89 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.962 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.83 109.97 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.17 -148.47 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.74 6.18 1.4 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 13.6 ttp -30.33 144.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.28 160.45 30.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -44.36 -61.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.38 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -65.68 -30.39 77.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.574 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -86.85 -65.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HA ' HG11 ' A' ' 72' ' ' VAL . 42.9 mt-10 -37.19 -47.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -54.4 -42.21 70.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 HD13 ' A' ' 42' ' ' LEU . 97.3 mt -59.85 -71.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.706 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -55.41 -16.19 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -79.8 -58.87 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.2 -32.0 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.48 175.89 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -59.4 159.55 7.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.33 116.28 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.25 5.75 12.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 50' ' ' PHE . 19.5 m -66.98 160.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.745 ' CE2' HD13 ' A' ' 118' ' ' LEU . 14.9 p90 -157.84 167.25 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 pp -163.62 177.11 9.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.962 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.2 t -118.88 115.92 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 10.8 mtm180 -103.3 169.96 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -134.54 148.98 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -94.23 159.64 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.56 -7.06 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -75.62 -52.11 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.9 m-20 -134.57 109.13 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.84 -58.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 74.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -169.11 134.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 23' ' ' LEU . 62.6 m-85 -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.13 156.79 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.923 HG13 HD11 ' A' ' 77' ' ' ILE . 40.5 mt -122.22 105.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -101.36 122.37 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.444 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.22 141.57 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.486 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 12.2 tptm -84.28 129.49 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -170.14 136.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.674 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 70.96 51.64 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.56 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 30.0 mm-40 -156.63 147.64 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 39' ' ' GLU . 45.5 t -89.27 121.32 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.432 ' C ' ' ND1' ' A' ' 74' ' ' HIS . 34.2 mmtt -95.23 163.65 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.432 ' ND1' ' C ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -147.52 142.78 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.468 HG12 ' CE2' ' A' ' 111' ' ' PHE . 44.7 mt -126.47 146.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -90.66 138.53 31.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.923 HD11 HG13 ' A' ' 64' ' ' ILE . 66.5 mt -119.94 108.08 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -85.05 162.29 19.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.9 p -136.5 133.64 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -124.86 113.31 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 44.03 48.04 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.11 52.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.538 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.596 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 18.1 mt -107.37 -179.41 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 7.8 m-85 -150.58 120.89 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -158.74 139.7 12.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.446 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 6.8 pt -95.37 -19.15 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 p -130.86 162.94 28.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.44 -31.05 57.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -73.87 -49.31 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.5 tppt? -93.71 149.57 21.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.73 157.5 38.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.076 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.467 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -135.77 173.36 11.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -93.9 -40.5 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.04 159.1 24.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 19.9 tp -59.06 -39.22 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.7 m -53.75 -68.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -43.93 -48.83 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.2 tt -48.22 -37.51 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.721 HG13 ' CD1' ' A' ' 118' ' ' LEU . 65.7 t -85.31 -49.9 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.37 -5.55 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.589 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 54.7 t80 -95.45 -46.8 6.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.683 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.9 m-85 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -40.78 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' TYR . 1.9 mp0 -104.1 -28.55 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.589 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 9.0 m-80 -108.95 112.36 24.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.4 t -51.95 131.12 30.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.683 HD23 ' CE1' ' A' ' 102' ' ' TYR . 36.3 mt -56.05 -16.94 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.418 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 10.0 pttp -61.78 -24.82 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.32 -44.78 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.88 -61.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 75' ' ' ILE . 34.8 m-85 -87.49 160.75 18.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -95.27 -45.94 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -56.97 -54.12 50.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 73' ' ' LYS . 4.2 mm? -68.55 91.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.418 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 24.3 t70 -95.84 25.64 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 t -147.56 160.22 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.57 166.41 11.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 50' ' ' PHE . 24.5 mt -45.47 107.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 28.6 mm-40 -87.15 -55.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.511 ' CD1' ' HB3' ' A' ' 125' ' ' PRO . 2.7 m-85 -140.16 131.25 14.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.662 0.744 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.96 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.416 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 1.9 t80 -81.02 -45.72 16.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.71 -67.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.97 155.43 2.39 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.278 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -89.85 141.74 28.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 155.02 66.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' SER . 70.7 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 17.2 mt -39.86 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 15.5 m -45.58 -43.79 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 26' ' ' HIS . 25.6 m -42.32 -44.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.458 ' N ' HG23 ' A' ' 25' ' ' VAL . 61.4 m80 -62.96 157.09 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 15.5 mt -71.6 1.54 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.493 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 8.7 p-90 -142.65 126.02 16.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -150.45 148.32 28.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.895 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.71 109.86 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.29 -148.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.3 Cg_endo -69.84 3.74 2.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.0 ttm -33.06 146.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . 8.8 pt-20 -99.18 165.06 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLU . 5.9 tmm_? -34.17 -69.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -44.82 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.55 53.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 -46.65 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' ALA . 22.7 mt-10 -42.64 -54.79 3.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 11.8 t -47.71 -49.63 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mt -52.67 -49.24 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.11 -6.54 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -85.19 -50.66 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -74.07 -39.26 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -178.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -64.78 162.08 16.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 116.84 16.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.06 4.69 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 50' ' ' PHE . 13.7 m -64.75 161.31 18.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 18.2 p90 -153.26 169.71 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -169.96 176.91 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.895 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -123.8 121.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -122.52 150.11 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.485 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 9.9 tt0 -101.62 158.53 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.8 mtp180 -95.24 168.12 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.1 t -100.05 -50.67 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -43.7 -43.01 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -132.73 124.03 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.89 -63.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.46 78.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -169.14 123.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 47.0 m-85 -117.44 169.22 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.91 135.13 12.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.534 HG13 HD11 ' A' ' 77' ' ' ILE . 32.2 mt -99.52 124.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t -115.13 117.6 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.485 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -126.95 139.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -87.48 127.4 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -165.46 147.06 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.9 t-20 62.94 50.65 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.95 25.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.4 145.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.439 HG11 ' HG2' ' A' ' 39' ' ' GLU . 60.2 t -92.58 118.87 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' CB ' HD21 ' A' ' 114' ' ' LEU . 20.6 mmtp -96.9 168.83 10.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -149.56 140.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.61 131.9 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -87.18 134.26 33.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.534 HD11 HG13 ' A' ' 64' ' ' ILE . 35.5 mt -110.27 142.16 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.4 mtm -113.87 154.12 28.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.1 p -143.69 112.12 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.129 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.49 -72.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -112.25 51.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.24 24.84 70.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 92' ' ' PHE . 48.8 mt -115.86 162.31 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 1.2 m-85 -131.39 128.93 40.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -162.31 137.53 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.555 HD13 ' OH ' ' A' ' 102' ' ' TYR . 4.9 pt -87.98 -24.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' B' ' 10' ' ' PRO . 7.3 p -146.2 135.81 23.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.97 -23.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -59.26 -52.4 65.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.59 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 4.4 tmtt? -117.86 137.22 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -130.6 152.78 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CE1' ' HD2' ' A' ' 90' ' ' LYS . 2.2 m-85 -125.71 172.04 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -90.17 -46.26 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.432 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.28 155.99 24.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 21.7 tp -50.51 -47.33 57.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.9 m -45.49 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.06 -42.04 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.502 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 6.4 tt -54.58 -42.52 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 28' ' ' TRP . 59.5 t -77.52 -45.11 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.29 -5.64 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.614 ' CZ ' ' CG ' ' A' ' 105' ' ' ASN . 67.4 t80 -97.28 -49.67 4.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.555 ' OH ' HD13 ' A' ' 86' ' ' ILE . 2.3 m-85 -49.33 -47.8 46.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.08 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.9 mp0 -104.8 -32.93 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.614 ' CG ' ' CZ ' ' A' ' 101' ' ' PHE . 1.6 m-80 -104.94 113.75 27.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.414 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 92.4 p -54.34 143.62 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.574 HD13 ' HA ' ' A' ' 117' ' ' THR . 10.9 mp -72.44 -16.49 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -61.56 -26.57 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.05 -51.28 24.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.48 -32.69 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.1 m-85 -110.0 77.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -33.68 -46.4 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -48.59 -55.42 11.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.503 ' CD2' ' CD ' ' B' ' 8' ' ' GLU . 3.5 mm? -72.58 92.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 5.2 t70 -89.81 44.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -168.45 174.44 6.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.574 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -127.6 174.12 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HG ' ' CG ' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -57.24 104.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.464 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 21.5 mm-40 -85.46 -48.7 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.3 m-85 -143.04 130.47 10.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.427 ' CA ' ' CE1' ' A' ' 50' ' ' PHE . 53.5 Cg_endo -69.75 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -79.71 -44.16 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 4.5 mmpt? -72.85 -70.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -173.01 149.4 1.78 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.503 ' CD ' ' CD2' ' A' ' 114' ' ' LEU . 44.5 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.9 p -102.4 147.27 33.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.482 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.9 Cg_endo -69.7 148.09 64.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 25' ' ' VAL . 65.7 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 ' CE1' ' A' ' 62' ' ' PHE . 15.4 mt -54.37 -26.87 32.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' VAL . 16.2 p -44.33 -48.34 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 22' ' ' ASP . 7.5 m -37.33 -36.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -73.75 146.33 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.48 HD22 ' OE2' ' A' ' 124' ' ' GLU . 9.4 mt -60.64 -9.49 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.909 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 24.1 p-90 -131.82 128.46 38.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -148.17 141.63 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.925 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -152.75 110.34 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.87 -152.51 1.38 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.72 5.0 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.2 ttp -30.57 140.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.67 156.1 38.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.634 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 16.7 tpp85 -41.13 -60.84 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -38.71 51.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.463 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -51.87 -35.07 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.434 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -79.21 -58.26 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.696 ' HA ' HG21 ' A' ' 72' ' ' VAL . 30.0 mt-10 -35.78 -57.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -50.47 -47.8 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 42' ' ' LEU . 20.8 mt -56.97 -64.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD21 ' HG ' ' A' ' 51' ' ' LEU . 5.6 mt -66.74 -7.9 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -95.4 -30.67 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -88.73 -36.49 16.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -59.14 -75.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -175.57 179.16 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -85.24 101.2 12.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.52 -4.69 5.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 m -65.01 154.87 36.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.6 ' CG ' HD22 ' A' ' 118' ' ' LEU . 28.0 p90 -148.14 175.63 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 42' ' ' LEU . 1.1 pp -169.56 177.12 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.925 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.4 t -119.33 112.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 53' ' ' ARG . 20.7 mtm105 -99.88 167.2 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.1 tt0 -123.62 158.26 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.9 tpp180 -93.85 156.64 16.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 94.7 t -95.66 -37.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -51.1 -58.38 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.8 123.43 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . -45.53 -49.6 13.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 59' ' ' ALA . 7.1 mt-10 -169.18 161.51 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.645 ' CE1' HD11 ' A' ' 23' ' ' LEU . 44.7 m-85 -159.01 175.57 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -154.66 161.7 41.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mt -128.14 100.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.477 ' HB3' HD11 ' A' ' 51' ' ' LEU . 11.3 t -96.57 129.19 44.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.481 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.64 142.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.9 tptm -89.27 121.64 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -163.85 139.51 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.2 t-20 67.46 54.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.06 25.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ASN . 29.3 mm-40 -151.14 132.77 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.696 HG21 ' HA ' ' A' ' 39' ' ' GLU . 93.7 t -86.24 114.4 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -94.89 170.86 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.634 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 1.2 m80 -151.35 143.92 24.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.3 mp -125.63 129.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.2 ttpm? -81.61 150.08 28.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.437 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 89.8 mt -121.08 135.89 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtm -106.05 154.14 21.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 83' ' ' LEU . 54.6 p -147.54 150.92 35.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.76 -73.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.93 12.63 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.15 11.78 4.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.0 mm? -93.32 168.09 11.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 5.0 m-85 -139.37 120.82 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -159.3 137.49 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.655 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 28.7 pt -86.58 -25.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.2 p -137.49 167.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -72.21 -35.58 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -62.47 -55.59 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 12.0 tppt? -88.34 151.84 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.505 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -156.67 160.4 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 5.3 m-85 -145.55 171.57 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -20.99 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.7 141.83 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 23' ' ' LEU . 48.4 tp -52.81 -43.81 66.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.2 m -50.69 -50.11 55.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.11 -44.87 90.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.8 tt -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 118' ' ' LEU . 97.4 t -92.83 -46.91 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' A' ' 103' ' ' GLN . 3.9 mm-40 -65.87 -5.38 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -98.58 -47.2 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.538 ' HA ' ' ND2' ' A' ' 105' ' ' ASN . 4.8 m-85 -51.93 -31.97 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 100' ' ' GLU . 23.3 mt-30 -54.52 -21.38 9.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -34.98 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.538 ' ND2' ' HA ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -104.77 113.8 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -55.52 131.73 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.83 -15.07 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 5.5 ptmt -60.0 -16.94 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -63.34 -34.92 78.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' CYS . . . . . 0.433 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 56.4 m -109.62 -50.28 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.655 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.72 97.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -51.8 -26.63 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 5.1 t -68.8 -49.03 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.18 104.87 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 57.2 m-20 -98.03 21.59 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.5 t -141.23 160.98 38.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -118.69 170.49 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.777 ' CD1' HG13 ' A' ' 99' ' ' VAL . 34.5 mt -47.6 108.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.575 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.5 mt-30 -90.59 -48.33 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.6 m-85 -145.44 138.65 14.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.44 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.76 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -70.76 -41.64 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 22.8 mttp -81.75 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.48 ' OE2' HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -175.16 150.68 1.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.696 0.76 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.748 2.298 . . . . 0.0 112.35 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.3 p -115.22 142.05 28.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 17.2 m-80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 19.1 mt -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' ASP . 65.2 p -43.62 -40.49 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 26' ' ' HIS . 24.5 m -47.2 -43.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' N ' HG23 ' A' ' 25' ' ' VAL . 54.1 m80 -62.74 156.67 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 124' ' ' GLU . 8.9 mt -72.85 0.52 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.674 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 14.6 p-90 -141.36 126.61 18.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -149.6 151.28 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.46 111.04 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.9 -150.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.8 3.38 2.82 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.242 . . . . 0.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.493 ' CE ' HD12 ' A' ' 41' ' ' ILE . 4.0 ttp -33.26 140.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 15.2 pt-20 -89.2 167.7 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' GLU . 4.5 tmm_? -36.12 -68.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.57 -48.92 57.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.19 -31.24 6.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -84.27 -52.54 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.545 ' HA ' HG11 ' A' ' 72' ' ' VAL . 28.1 mt-10 -37.69 -55.3 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -47.45 -46.72 26.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.493 HD12 ' CE ' ' A' ' 33' ' ' MET . 25.6 mt -58.6 -58.98 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 2.8 mt -74.54 -4.55 37.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -83.68 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -63.05 -44.07 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -56.33 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -68.33 141.16 55.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.16 106.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 132.37 1.85 4.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.1 m -64.63 165.08 10.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' N ' HG22 ' A' ' 49' ' ' THR . 21.7 p90 -155.44 170.88 20.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -169.84 175.66 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.683 HG11 HD21 ' A' ' 95' ' ' LEU . 2.6 t -123.2 106.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 5.9 ptt-85 -111.68 152.57 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 44.4 tt0 -97.6 160.43 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 4.0 mtt-85 -93.58 168.11 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.0 m -105.57 -16.32 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.23 -43.81 49.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -133.73 116.28 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.28 -61.05 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.2 74.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.08 124.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 45.7 m-85 -110.6 172.41 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.3 145.5 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 98' ' ' LEU . 17.5 mt -109.76 123.23 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.483 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 6.4 t -117.8 117.92 30.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -128.64 137.84 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 14.1 tptm -85.58 137.94 32.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.518 ' CD2' HD23 ' A' ' 114' ' ' LEU . 3.6 t80 -175.38 138.9 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.698 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.19 49.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.51 26.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -151.28 135.53 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' ' 39' ' ' GLU . 46.6 t -92.09 118.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 51.0 mmtt -98.45 172.21 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.483 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 3.6 m-70 -150.95 146.41 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.557 HD11 HD23 ' A' ' 107' ' ' LEU . 87.0 mt -122.19 127.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 119.56 26.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 62' ' ' PHE . 35.9 mt -93.5 147.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.6 mtm -116.82 149.41 40.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.0 p -145.01 126.45 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.45 -72.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -107.48 49.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.13 29.34 66.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 93' ' ' ARG . 13.6 mt -121.25 147.48 45.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -121.02 126.99 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -161.66 146.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.017 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -106.48 -12.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 1.017 HG23 HD12 ' A' ' 86' ' ' ILE . 3.0 p -144.18 168.0 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.12 -26.31 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.88 -54.17 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -93.72 142.69 27.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.1 140.56 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.7 m-85 -123.23 172.0 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.403 ' HA ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -108.82 -24.57 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.1 139.78 9.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.683 HD21 HG11 ' A' ' 52' ' ' VAL . 18.7 tp -50.18 -39.29 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.8 m -52.89 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.94 -46.84 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.42 HD22 HD11 ' A' ' 64' ' ' ILE . 6.7 tt -49.31 -40.81 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.603 HG13 HD23 ' A' ' 118' ' ' LEU . 95.8 t -80.44 -51.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.56 -6.98 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.506 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 50.6 t80 -94.78 -50.26 5.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 104' ' ' GLN . 1.4 m-85 -50.51 -46.4 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -44.99 -21.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 102' ' ' TYR . 5.9 mt-30 -104.16 -34.79 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.88 112.89 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.401 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 4.8 t -50.29 141.49 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' ' 117' ' ' THR . 10.4 mp -68.87 -17.28 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 20.3 pttt -60.89 -21.93 63.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.81 -48.24 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.12 -41.05 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.907 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 10.8 m-85 -112.02 86.78 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.484 ' HZ2' ' H ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -47.04 -22.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -63.1 -49.18 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.615 HD12 ' HG3' ' B' ' 8' ' ' GLU . 2.6 mt -88.64 118.65 28.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.429 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 10.6 t70 -104.29 32.76 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -148.65 157.11 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.839 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.81 173.91 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.603 HD23 HG13 ' A' ' 99' ' ' VAL . 1.6 mp -54.29 103.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -84.81 -48.66 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.81 136.17 13.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PRO . . . . . 0.471 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.0 Cg_endo -69.79 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 2.0 t80 -82.47 -34.84 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 18.2 mtpt -91.03 -67.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 31.3 mt-10 -163.33 144.73 7.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.615 ' HG3' HD12 ' A' ' 114' ' ' LEU . 5.6 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -111.19 138.8 21.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.5 53.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 112' ' ' LYS . 5.1 m-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' HG22 ' A' ' 25' ' ' VAL . 6.7 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.424 HD21 HD23 ' A' ' 95' ' ' LEU . 15.2 mt -53.18 -21.66 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -48.75 -33.24 9.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 22' ' ' ASP . 27.4 m -52.43 -35.05 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -74.0 153.51 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.4 mt -67.52 -9.96 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.542 ' CE2' HG11 ' A' ' 99' ' ' VAL . 7.9 p-90 -128.3 125.43 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -151.14 148.12 27.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -155.3 109.39 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 -151.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.2 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.553 ' CE ' HD12 ' A' ' 41' ' ' ILE . 6.6 ttp -32.28 146.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' ARG . 9.7 pt-20 -91.51 162.58 14.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -33.79 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.31 -45.35 45.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -51.65 -37.63 42.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.09 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.674 ' HA ' HG11 ' A' ' 72' ' ' VAL . 25.8 mt-10 -56.47 -53.04 62.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -44.21 -47.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.553 HD12 ' CE ' ' A' ' 33' ' ' MET . 41.7 mt -60.93 -62.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 49' ' ' THR . 2.1 mt -73.1 2.86 6.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -92.95 -17.99 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -124.69 -21.4 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.554 ' HG2' HG21 ' A' ' 49' ' ' THR . 1.6 tpt85 -55.14 -72.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 t -175.76 174.53 2.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -82.81 97.55 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.87 1.62 8.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.554 HG21 ' HG2' ' A' ' 45' ' ' ARG . 14.3 m -65.16 151.3 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' A' ' 118' ' ' LEU . 10.4 p90 -147.09 174.49 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 pp -169.28 177.13 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.649 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -123.21 107.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 63' ' ' ALA . 4.1 ptm180 -108.73 142.86 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -83.14 160.16 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -96.5 149.07 22.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.67 -33.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.478 ' OD2' ' HB3' ' A' ' 60' ' ' ALA . 32.7 t70 -149.34 136.68 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -22.88 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.478 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . . . -97.79 53.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 5.3 mm-40 -155.87 128.31 7.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -117.56 176.09 5.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB3' ' HG3' ' A' ' 53' ' ' ARG . . . -152.59 150.21 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.526 HG13 HD11 ' A' ' 77' ' ' ILE . 52.9 mt -116.46 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.634 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 3.4 t -95.34 128.67 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.477 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.81 143.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' N ' HG12 ' A' ' 66' ' ' ILE . 11.2 tptm -89.73 120.04 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.411 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 2.1 t80 -161.46 134.7 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' GLU . 1.8 t-20 73.0 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 40.64 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ASN . 19.9 mt-10 -152.75 134.77 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.674 HG11 ' HA ' ' A' ' 39' ' ' GLU . 25.6 t -87.5 117.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.631 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 5.1 mmmt -96.8 171.03 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.634 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 2.7 m-70 -151.35 144.84 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.4 mt -132.15 138.58 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 22.6 ttmt -84.36 149.61 25.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.526 HD11 HG13 ' A' ' 64' ' ' ILE . 96.8 mt -117.54 131.56 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 44.0 mtm -92.38 169.83 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.2 p -149.95 119.44 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.489 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -129.08 111.48 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 50.38 44.51 26.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.21 21.39 58.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 29.6 mt -100.68 177.42 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 17.7 m-85 -154.75 124.0 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -160.29 142.6 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.756 HD11 ' OH ' ' A' ' 102' ' ' TYR . 44.9 pt -97.22 -15.11 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 p -137.76 166.46 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 1.3 pm0 -80.57 -29.52 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.76 -55.3 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -92.3 149.91 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.633 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -148.92 163.44 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -146.58 173.26 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -93.45 -46.46 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -128.39 160.18 22.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.458 HD21 HG11 ' A' ' 52' ' ' VAL . 24.2 tp -60.83 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 m -54.76 -70.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 12.6 mm-40 -44.94 -49.29 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.0 tt -47.45 -35.94 9.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 28' ' ' TRP . 84.2 t -90.17 -57.22 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.12 -10.26 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.517 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 92.3 t80 -95.36 -47.17 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' TYR . . . . . 0.756 ' OH ' HD11 ' A' ' 86' ' ' ILE . 2.2 m-85 -56.44 -27.09 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.724 ' HG2' HD12 ' A' ' 118' ' ' LEU . 4.3 mt-30 -63.48 -7.75 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -115.94 -33.36 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -105.78 113.66 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -51.76 133.25 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 117' ' ' THR . 9.3 mp -70.56 -8.32 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -60.63 -16.72 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -33.59 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.6 m -102.93 -50.81 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.723 ' HE2' HD12 ' A' ' 86' ' ' ILE . 97.5 m-85 -106.14 98.61 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -48.8 -28.04 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 43.6 t -67.48 -48.5 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.431 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 3.8 mm? -80.18 86.44 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 32.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -153.05 164.63 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.416 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.71 161.05 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.849 HD13 ' CE2' ' A' ' 50' ' ' PHE . 30.9 mt -42.99 112.44 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.553 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 20.3 mt-30 -89.38 -53.68 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.3 m-85 -144.54 135.69 12.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -168.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.8 OUTLIER -79.95 -46.08 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.02 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 125' ' ' PRO . 0.4 OUTLIER -176.13 154.79 1.43 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.36 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' GLU . . . . . 0.422 ' CD ' HD21 ' A' ' 114' ' ' LEU . 32.5 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -111.54 130.61 22.93 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.732 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.98 69.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.262 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t 63.74 41.93 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -143.37 171.83 13.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.94 105.48 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -53.31 164.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -102.89 140.32 37.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.0 158.81 31.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -128.65 -33.02 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . 48.1 37.8 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -88.38 108.62 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.23 117.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -96.29 97.9 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -141.82 110.34 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.502 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 8.6 m-80 -110.02 91.2 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -104.59 44.08 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.502 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -100.19 168.91 9.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -132.94 81.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.93 75.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.52 40.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.3 Cg_endo -69.72 -177.55 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.282 . . . . 0.0 112.367 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' PRO . 25.2 tp60 -36.22 137.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.654 ' O ' HG22 ' A' ' 25' ' ' VAL . 7.8 t70 -171.97 153.38 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD11 ' CE1' ' A' ' 62' ' ' PHE . 28.4 mt -41.05 -26.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.7 m -45.27 -44.12 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 22' ' ' ASP . 12.6 m -42.83 -37.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -73.56 150.61 41.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 124' ' ' GLU . 8.7 mt -65.13 -5.75 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 18.5 p-90 -134.75 127.82 31.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -148.98 145.5 27.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.76 111.02 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.52 -148.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.551 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.81 4.54 2.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.9 ttp -32.28 142.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.25 179.73 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 20.1 tpp85 -52.3 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -42.51 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.13 -37.67 81.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.33 -47.61 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ALA . 34.2 mt-10 -51.21 -57.0 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -49.12 -41.95 37.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.33 -51.7 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.512 HD23 HG22 ' A' ' 49' ' ' THR . 3.3 mt -82.29 -5.47 58.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -91.36 -42.8 10.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -79.31 -37.41 37.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' N ' ' HD2' ' A' ' 45' ' ' ARG . 3.7 mpt_? -65.24 -176.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 m -68.21 153.44 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 115.34 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.45 7.37 9.96 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.512 HG22 HD23 ' A' ' 42' ' ' LEU . 27.9 m -69.51 157.98 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.18 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.737 ' CG ' HD22 ' A' ' 118' ' ' LEU . 17.6 p90 -152.44 172.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -169.86 176.93 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.909 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -122.26 114.77 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 10.4 ptt85 -116.31 154.94 29.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 7.7 tt0 -108.11 152.38 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' NE ' ' O2P' ' B' ' 7' ' ' PTR . 27.5 ttt180 -93.97 165.21 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.69 -37.75 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -44.67 -57.46 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.09 114.11 16.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.12 -46.47 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.91 63.16 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.11 124.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CE1' HD11 ' A' ' 23' ' ' LEU . 40.7 m-85 -116.71 164.53 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -150.75 137.71 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.88 HG13 HD11 ' A' ' 77' ' ' ILE . 51.7 mt -102.04 111.41 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.483 ' HG ' ' CG ' ' A' ' 74' ' ' HIS . 5.0 t -107.3 118.96 38.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.495 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -129.83 143.14 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 15.4 tptm -87.9 127.32 35.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -166.06 144.77 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.728 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 64.93 49.46 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 48.25 25.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -153.84 148.0 25.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 39' ' ' GLU . 34.4 t -90.31 121.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 18.9 mmtp -101.48 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.6 m-70 -143.12 152.61 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.446 HD13 ' HE2' ' A' ' 111' ' ' PHE . 23.1 mt -134.42 141.67 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -92.81 117.7 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.88 HD11 HG13 ' A' ' 64' ' ' ILE . 69.0 mt -93.79 136.25 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 mtt -94.05 169.5 10.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 p -147.33 116.12 6.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -120.74 113.38 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 43.33 47.84 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.07 23.5 55.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 80' ' ' ALA . 19.2 mt -104.68 -179.35 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 15.7 m-85 -155.54 123.38 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.1 143.19 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.812 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -108.58 -11.39 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.812 HG23 HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -129.81 166.2 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.56 -32.8 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -74.63 -47.76 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -94.7 150.34 20.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.67 137.28 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 1.1 m-85 -116.53 173.62 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.526 ' HA ' HD23 ' A' ' 83' ' ' LEU . 6.7 ppt_? -104.14 -32.77 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -134.75 153.28 21.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.446 HD23 HD21 ' A' ' 23' ' ' LEU . 10.6 tp -61.76 -46.36 89.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 39.2 m -52.15 -49.39 63.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -58.64 -46.7 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.5 tt -55.87 -32.49 63.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 118' ' ' LEU . 96.1 t -81.79 -53.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.22 -5.66 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.516 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 84.4 t80 -94.7 -44.59 7.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -58.98 -36.04 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -52.85 -19.08 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.69 -29.13 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 11.4 m-80 -108.91 111.32 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -54.22 128.68 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.636 HD13 ' HA ' ' A' ' 117' ' ' THR . 8.0 mp -57.18 -14.53 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.92 -27.17 60.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.73 -48.21 81.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' B' ' 11' ' ' ASN . 91.8 m -94.82 -52.24 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.536 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 29.9 m-85 -99.73 71.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -33.3 -36.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' PHE . 48.0 t -55.12 -53.2 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 mp -81.82 94.65 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -84.65 35.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -150.67 157.03 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.636 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.1 OUTLIER -116.78 166.63 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.737 HD22 ' CG ' ' A' ' 50' ' ' PHE . 53.1 mt -44.65 106.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.9 mt-30 -89.81 -47.64 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.0 m-85 -144.67 135.17 12.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.462 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.0 Cg_endo -69.74 -162.83 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.41 -43.24 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 38.2 mttt -82.4 -69.26 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.569 ' O ' HD13 ' A' ' 27' ' ' LEU . 39.7 mt-10 -162.74 145.37 8.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo -69.74 -168.62 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.412 ' HB2' HG22 ' A' ' 130' ' ' ILE . 0.8 OUTLIER -113.65 177.23 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' CD ' ' HB2' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -150.19 163.05 39.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.415 ' HB2' ' CD ' ' A' ' 127' ' ' LYS . 20.9 tpp180 59.0 40.82 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 128' ' ' ARG . 1.7 m 35.05 48.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 131' ' ' SER . 0.0 OUTLIER -72.79 127.77 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.462 ' N ' HD13 ' A' ' 130' ' ' ILE . 15.9 m -154.57 158.08 39.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -121.59 104.91 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -65.95 157.99 29.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -114.59 87.72 0.45 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.42 8.12 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.3 m 40.64 41.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.0 t -137.83 129.98 28.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.444 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -80.96 -49.69 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -61.2 150.48 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -155.39 110.08 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.17 61.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.52 -31.81 65.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.497 ' O2P' ' NE ' ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -53.13 151.34 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.3 p -106.99 140.95 21.89 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 176.53 6.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.386 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 110' ' ' CYS . 3.4 m-20 -52.29 110.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.62 -55.56 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -45.17 -49.74 11.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.02 97.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 m -60.49 164.4 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -83.12 158.29 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.81 131.6 4.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -117.4 111.35 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -70.66 114.42 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.62 117.27 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -126.34 42.04 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.73 123.68 45.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -134.39 163.56 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.21 175.03 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -114.86 77.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -90.77 136.33 33.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -127.23 79.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -131.04 76.96 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -120.58 -30.06 4.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' TRP . 5.8 pt-20 37.43 33.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.07 84.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 54.0 Cg_endo -69.72 112.12 2.98 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 19' ' ' PRO . 54.0 Cg_endo -69.8 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -84.51 30.45 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -47.55 164.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.583 HD11 ' CE1' ' A' ' 62' ' ' PHE . 21.0 mt -46.82 -21.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 m -47.37 -39.79 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 26' ' ' HIS . 35.6 m -45.38 -42.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.456 ' N ' HG23 ' A' ' 25' ' ' VAL . 65.4 m80 -67.27 146.77 53.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.34 -10.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.749 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.4 p-90 -131.38 127.85 38.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -148.02 144.24 27.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.01 110.79 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.04 -149.85 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 5.88 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttm -31.57 133.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.08 170.49 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 35' ' ' ARG . 5.0 tmm_? -44.87 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.35 -42.12 40.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.0 71.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.623 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -81.83 -57.07 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.578 ' HA ' HG11 ' A' ' 72' ' ' VAL . 47.5 mt-10 -42.4 -47.96 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 30.3 t -48.17 -47.15 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 42' ' ' LEU . 98.1 mt -54.89 -71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.725 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -53.92 -16.19 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -76.72 -64.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 5.1 mpt_? -66.93 176.61 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ASP . 21.6 m -68.35 121.73 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.9 p-10 -36.41 126.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.27 29.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.4 m -67.97 162.14 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 111.17 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 16.3 p90 -156.24 167.26 30.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.6 pp -162.48 176.98 9.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.916 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 t -118.54 114.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -103.02 163.74 12.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 41.4 tt0 -131.94 155.29 48.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.8 mmm-85 -94.18 170.27 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.4 -12.69 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.03 -39.78 48.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -142.4 107.56 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.47 -46.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB1' ' OG1' ' A' ' 79' ' ' THR . . . -74.4 69.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -168.58 128.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 23' ' ' LEU . 47.8 m-85 -131.55 174.85 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.32 164.51 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.433 HG13 HD11 ' A' ' 77' ' ' ILE . 23.2 mt -132.92 107.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -103.87 126.52 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.473 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.82 142.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 66' ' ' ILE . 14.5 tptm -88.35 132.05 34.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -172.44 138.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.681 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.14 52.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.62 25.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -154.33 143.33 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 39' ' ' GLU . 21.5 t -95.38 124.1 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.4 mmtt -99.79 158.05 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.488 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -137.61 142.55 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.521 HD11 ' CD1' ' A' ' 114' ' ' LEU . 22.1 mt -126.94 125.67 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -81.96 141.06 33.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.433 HD11 HG13 ' A' ' 64' ' ' ILE . 34.5 mt -114.32 145.87 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.8 mtm -119.61 154.15 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' HB1' ' A' ' 60' ' ' ALA . 73.2 p -145.87 119.81 9.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.63 -74.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -113.18 51.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.92 20.92 72.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.2 mt -116.18 131.69 56.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 5.1 m-85 -101.48 129.38 47.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -162.17 139.45 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.578 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 5.9 pt -95.41 -19.96 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.8 p -142.0 157.82 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -68.28 -23.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -71.55 -56.78 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -94.81 139.76 30.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.47 144.31 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 98' ' ' LEU . 28.8 m-85 -124.82 167.63 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -93.72 -40.52 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.91 144.05 14.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 47.1 tp -42.28 -47.43 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 m -43.87 -68.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -46.71 -54.95 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 92' ' ' PHE . 10.1 tt -41.28 -33.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.682 HG13 ' CD1' ' A' ' 118' ' ' LEU . 93.8 t -90.62 -47.85 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.7 -5.73 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 20.7 t80 -97.35 -45.41 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.488 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.7 m-85 -55.63 -34.76 65.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -51.0 -17.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -110.81 -23.36 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.434 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 3.6 m-80 -111.34 112.08 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 t -53.69 128.0 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 114' ' ' LEU . 16.5 mt -60.74 -11.27 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.52 -41.2 84.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.5 m -94.99 -56.78 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.578 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.41 101.87 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -19.64 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -74.59 -53.7 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.521 ' CD1' HD11 ' A' ' 75' ' ' ILE . 11.8 mt -78.77 99.81 6.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.76 35.41 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.2 t -157.67 151.94 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 164.09 12.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.682 ' CD1' HG13 ' A' ' 99' ' ' VAL . 30.8 mt -46.19 109.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.447 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.4 mt-30 -88.66 -51.43 5.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.0 m-85 -143.17 136.89 14.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.451 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.8 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -38.99 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -87.01 -66.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.451 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.2 pt-20 -175.18 151.45 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -175.55 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -150.66 154.58 37.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -101.96 -63.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -47.87 119.56 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.3 p -92.77 116.93 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.8 tp -158.79 132.63 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.0 m -132.2 108.43 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -166.28 163.17 17.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.7 t 71.55 45.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.17 64.96 0.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.85 36.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -96.21 121.97 38.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.2 m -111.15 -58.38 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.206 -0.775 . . . . 0.0 112.462 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -120.35 144.94 47.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -82.04 123.01 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -171.1 160.61 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.0 59.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -107.35 -19.5 13.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.851 0.357 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.04 143.96 30.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -107.78 143.25 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 162.22 42.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -73.22 122.96 22.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -40.52 14.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.47 -52.21 65.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.42 ' C ' ' OE1' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -77.62 96.29 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -112.47 42.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -56.08 133.1 51.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.84 -143.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m -153.6 174.72 14.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 p -82.46 -52.85 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . 45.65 -116.31 1.98 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.524 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER 34.35 33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -150.74 151.67 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -164.64 130.9 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.42 144.46 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -161.9 142.16 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -131.2 162.17 30.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -124.77 106.66 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -129.45 39.4 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -88.77 95.34 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -112.25 44.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.01 63.88 4.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 154.02 68.18 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.372 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.2 Cg_endo -69.72 -175.75 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' PRO . 51.1 tt0 -36.92 109.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.701 ' O ' HG22 ' A' ' 25' ' ' VAL . 18.9 m-20 -138.42 154.73 48.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 14.9 mt -43.31 -25.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.0 t -47.12 -41.47 17.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 22' ' ' ASP . 6.9 m -41.52 -32.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 64.6 m80 -78.33 146.1 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 27' ' ' LEU . 7.3 tp -57.51 -11.3 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.6 p-90 -130.09 127.47 39.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -148.78 153.21 37.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.913 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.5 111.11 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . . . -57.76 -151.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.69 2.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 41.5 ttp -38.6 137.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -90.45 174.6 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.465 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 7.6 tmm_? -44.64 -66.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.58 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.47 -36.59 93.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.618 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -63.84 -57.9 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.5 mt-10 -41.48 -43.23 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 41.0 t -51.78 -42.83 62.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.581 HG22 HD13 ' A' ' 42' ' ' LEU . 91.1 mt -65.79 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -53.28 -18.58 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -69.2 -33.19 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 40' ' ' SER . 62.9 m-80 -93.64 -38.16 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 2.1 mmt180 -61.47 -175.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -77.62 172.79 12.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.73 114.67 13.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.16 1.65 18.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 50' ' ' PHE . 31.9 m -64.57 158.93 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.89 ' CG ' HD22 ' A' ' 118' ' ' LEU . 24.0 p90 -153.17 170.74 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.43 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 3.0 pp -160.82 174.45 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.913 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.8 t -129.47 115.21 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptt-85 -119.45 156.72 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.487 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.2 tt0 -100.53 158.93 15.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.487 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 26.1 mtt180 -94.61 167.48 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.96 -36.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -53.33 -53.0 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -130.32 118.89 21.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.86 -60.6 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 74.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 0.7 OUTLIER -168.92 147.7 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 32.7 m-85 -141.75 176.49 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.52 ' HB2' ' O3P' ' B' ' 7' ' ' PTR . . . -150.15 156.89 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.78 103.94 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.7 t -99.94 136.51 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.599 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -142.01 145.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 7.7 tptm -94.52 133.31 38.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -174.11 142.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.677 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.3 t-20 63.88 50.58 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.4 m 46.67 24.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 22.3 mm-40 -151.37 137.5 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.5 t -91.09 121.64 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.467 ' HE3' ' CD2' ' A' ' 114' ' ' LEU . 9.7 mttt -95.18 172.06 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.465 ' CD2' ' HG2' ' A' ' 35' ' ' ARG . 4.8 m80 -150.07 140.72 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.423 ' C ' ' HD2' ' B' ' 7' ' ' PTR . 57.9 mt -124.38 135.69 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -95.73 138.42 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 70.5 mt -108.28 137.62 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mtm -112.44 146.63 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.7 p -138.02 135.67 36.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.6 -66.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.13 46.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.64 29.3 63.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -122.75 151.09 41.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -116.73 126.8 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -161.51 138.95 8.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.8 pt -93.78 -19.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.5 p -133.57 155.75 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.63 -37.94 85.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -65.68 -57.74 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -83.32 150.33 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.479 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -154.32 161.3 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 3.2 m-85 -142.4 168.66 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -88.32 -44.47 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.518 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.96 156.04 24.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.596 HD21 HG11 ' A' ' 52' ' ' VAL . 11.5 tp -50.38 -41.34 51.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.1 m -51.9 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 8.6 mm-40 -45.66 -41.41 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.508 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 5.3 tt -56.77 -37.75 71.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.768 HG13 ' CD1' ' A' ' 118' ' ' LEU . 98.1 t -83.69 -51.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.17 -5.58 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.716 ' CE2' ' ND2' ' A' ' 105' ' ' ASN . 83.1 t80 -95.84 -47.35 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CE1' HD23 ' A' ' 107' ' ' LEU . 2.3 m-85 -54.23 -36.8 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -52.19 -20.59 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.0 -31.93 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.716 ' ND2' ' CE2' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -111.37 111.73 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -50.1 135.13 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.604 HD23 ' CE1' ' A' ' 102' ' ' TYR . 12.8 mt -57.8 -21.18 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 7.5 ptmt -57.63 -19.91 29.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -55.95 -40.86 73.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.3 m -100.47 -50.14 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -91.7 157.49 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -98.06 -40.16 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.0 t -65.64 -47.96 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.467 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 7.7 mt -74.33 96.17 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 11.7 t70 -96.42 25.21 5.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -143.59 178.72 7.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -137.17 172.37 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.89 HD22 ' CG ' ' A' ' 50' ' ' PHE . 65.3 mt -46.44 108.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.455 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 37.6 mm-40 -90.56 -47.46 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.61 135.6 13.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.457 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.4 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.237 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -61.43 -50.96 70.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 20.3 mttp -70.7 -70.27 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 9.8 pt-20 -175.53 152.57 1.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 141.02 43.94 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -165.53 124.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 111.99 22.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -116.89 44.23 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 20.5 p 38.29 36.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.4 tp -52.47 142.56 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.3 t -114.25 146.04 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.36 126.37 27.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.7 p -93.42 128.24 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -48.36 139.96 10.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 157.62 59.62 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.316 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 90.2 p -124.35 144.15 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.6 t -154.38 141.27 19.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.503 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.35 -54.94 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -103.63 154.05 19.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -143.87 139.71 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.65 49.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -93.02 -33.49 14.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.52 ' O3P' ' HB2' ' A' ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -48.94 134.22 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 m -100.48 139.91 21.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.678 0.751 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 156.04 64.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -68.88 124.51 23.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -90.88 -39.74 12.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -67.05 -21.33 65.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -95.56 134.36 38.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -131.47 157.32 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.818 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -88.13 145.8 25.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.73 99.28 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -172.71 125.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -162.58 171.11 17.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.51 82.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' ALA . 19.1 ptpt -173.21 170.59 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -35.3 146.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.03 40.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.07 164.56 13.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -92.87 139.24 30.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -93.18 144.38 25.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -123.54 5.42 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -81.7 48.45 1.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -104.33 162.39 13.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -132.23 86.85 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.6 93.91 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 166.18 28.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 120.21 7.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.252 . . . . 0.0 112.401 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -74.32 153.13 39.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -76.26 104.53 6.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD11 ' CE1' ' A' ' 62' ' ' PHE . 18.1 mt -37.87 -35.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' VAL . 46.8 t -38.61 -49.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 26' ' ' HIS . 34.4 m -37.86 -44.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.5 ' N ' HG23 ' A' ' 25' ' ' VAL . 58.5 m80 -64.86 146.88 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 27' ' ' LEU . 7.5 tp -59.61 -9.47 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.74 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 17.9 p-90 -132.17 128.41 37.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -148.04 151.81 36.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.925 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.34 111.0 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.37 -148.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.7 Cg_endo -69.7 8.56 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.712 ' CE ' HD11 ' A' ' 41' ' ' ILE . 5.5 tpp -28.56 140.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -98.44 172.35 7.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HD2' ' C ' ' A' ' 35' ' ' ARG . 3.3 tmm_? -39.49 -69.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.0 -32.98 82.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -64.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HA ' HG11 ' A' ' 72' ' ' VAL . 31.1 mt-10 -40.09 -42.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -52.71 -45.2 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 ' CE ' ' A' ' 33' ' ' MET . 46.1 mt -59.22 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.703 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.06 -27.34 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -57.33 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.05 -45.14 95.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -63.46 -177.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -67.04 169.45 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.31 120.57 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.66 6.13 25.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 50' ' ' PHE . 27.8 m -67.17 156.43 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CG ' HD22 ' A' ' 118' ' ' LEU . 30.2 p90 -149.88 171.45 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' HD11 ' A' ' 42' ' ' LEU . 2.4 pp -167.32 176.63 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.925 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.8 t -127.0 114.79 38.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -116.82 152.42 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 59.9 tt0 -96.73 160.51 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -93.66 157.06 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.28 -42.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -52.17 -46.85 65.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -131.48 115.37 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -44.6 -58.28 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.04 79.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -165.42 162.12 19.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' HD11 ' A' ' 23' ' ' LEU . 42.3 m-85 -160.2 169.16 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.71 154.08 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt -116.81 105.36 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -98.82 125.38 44.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.489 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.27 141.39 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 9.6 tptm -88.02 133.04 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -174.15 140.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.2 49.47 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 47.84 25.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 8.6 mm-40 -153.47 141.4 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.441 HG11 ' HA ' ' A' ' 39' ' ' GLU . 95.6 t -90.15 120.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -95.5 154.85 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 1.2 m-70 -136.99 136.37 38.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 114' ' ' LEU . 4.5 mp -119.82 121.93 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.6 ttpm? -77.97 146.71 35.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 83.6 mt -121.48 127.27 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.6 mtm -92.86 154.0 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 83' ' ' LEU . 58.2 p -149.83 142.07 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.84 -71.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -111.12 11.87 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.3 25.22 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 79' ' ' THR . 3.4 mm? -105.8 176.39 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 4.5 m-85 -150.81 124.34 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -162.16 141.34 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.4 pt -96.4 -17.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.5 p -144.33 158.0 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.16 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -60.62 -58.74 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -97.56 141.11 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.47 150.31 34.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.7 m-85 -123.68 173.12 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 6.0 ppt_? -99.2 -36.87 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -137.14 153.33 21.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.533 HD23 HD21 ' A' ' 23' ' ' LEU . 62.2 tp -53.93 -42.45 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.486 ' HG1' ' CE1' ' A' ' 26' ' ' HIS . 63.5 m -50.86 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -46.45 -45.29 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 10.3 tt -51.6 -34.1 35.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.576 HG13 ' CD1' ' A' ' 118' ' ' LEU . 68.1 t -88.49 -46.01 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.55 -4.93 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.454 ' CZ ' ' OD1' ' A' ' 105' ' ' ASN . 92.8 t80 -96.83 -46.2 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -55.01 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -50.28 -21.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -109.17 -29.98 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.454 ' OD1' ' CZ ' ' A' ' 101' ' ' PHE . 8.3 m120 -107.11 109.67 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -56.19 133.24 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 117' ' ' THR . 9.5 mp -62.28 -8.83 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -66.46 -19.95 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.54 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.9 m -101.0 -52.58 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -97.71 158.01 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.503 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -104.41 -16.3 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -78.99 -45.39 20.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.639 HD12 ' HG3' ' B' ' 8' ' ' GLU . 4.4 mt -90.9 100.31 13.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -96.72 29.59 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -147.47 166.1 28.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.402 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.69 163.7 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.591 HD22 ' CG ' ' A' ' 50' ' ' PHE . 31.5 mt -41.79 109.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.15 -50.78 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 2.0 m-85 -143.22 134.0 12.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.439 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.1 Cg_endo -69.75 -178.48 2.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.38 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CE2' ' HG2' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -61.14 -50.79 71.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.452 ' HG2' ' CE2' ' A' ' 122' ' ' PHE . 1.7 mtpm? -71.74 -69.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 125' ' ' PRO . 1.8 pp20? -176.01 153.28 1.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.415 ' O ' ' CD ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.8 140.81 43.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.98 150.29 20.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 27.28 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -99.03 81.33 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.9 p -91.98 38.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 131' ' ' SER . 5.2 tp -53.14 -40.69 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.414 ' N ' HG23 ' A' ' 130' ' ' ILE . 72.3 m 56.63 54.57 7.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -101.9 41.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.0 m -69.81 171.46 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -165.29 70.13 0.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -175.72 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.3 t 68.57 40.81 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.4 t -91.29 110.74 22.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.452 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -102.49 -57.5 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -115.15 145.91 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -169.25 130.15 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.04 91.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -117.62 -38.04 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.473 ' HD1' ' CA ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.639 ' HG3' HD12 ' A' ' 114' ' ' LEU . 6.4 mm-40 -63.91 132.97 52.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -98.52 142.29 24.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 140.44 42.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.503 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.2 m-20 -64.75 127.32 31.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' B' ' 14' ' ' GLU . 4.1 tm-20 -97.47 -58.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -40.95 -25.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 12' ' ' GLU . 4.6 mp0 -89.26 147.85 23.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 p -85.08 133.79 34.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -74.28 -46.14 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.66 93.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -96.61 130.95 43.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -68.07 -53.97 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.88 -98.49 1.51 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -58.95 132.09 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.38 173.69 7.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -88.73 139.18 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.57 113.63 26.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.55 153.14 40.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -156.28 113.58 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.424 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 17.8 p-10 -48.66 159.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' GLU . 47.1 m95 -130.87 -46.4 1.03 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' TRP . 9.6 p90 -34.92 -33.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' TRP . 55.1 mm-40 -75.99 71.94 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.86 98.54 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 18' ' ' GLY . 53.6 Cg_endo -69.75 154.99 67.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.3 Cg_endo -69.68 -164.25 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 2.261 . . . . 0.0 112.382 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' PRO . 14.4 tt0 -35.0 134.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -129.58 152.01 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 36.2 mt -53.07 -25.89 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.3 p -38.88 -40.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 26' ' ' HIS . 34.5 m -45.82 -45.46 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.511 ' N ' HG23 ' A' ' 25' ' ' VAL . 52.9 m80 -62.11 151.41 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.84 -5.43 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.6 p-90 -135.55 127.6 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -148.95 146.38 27.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.931 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.59 110.45 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.44 -154.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.78 3.17 2.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 25.2 ttp -33.48 141.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.7 pt-20 -81.34 155.39 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -37.42 -62.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -46.36 44.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -53.07 -39.31 57.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.47 54.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.3 mt-10 -40.75 -49.93 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 6.8 t -55.53 -42.83 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 42' ' ' LEU . 15.0 mt -60.35 -63.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.548 HD23 HG22 ' A' ' 49' ' ' THR . 5.8 mt -67.51 -5.17 13.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -71.98 -59.17 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.58 -46.88 88.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -49.82 -179.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -79.77 158.51 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -61.59 103.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.96 -0.83 3.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.514 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.548 HG22 HD23 ' A' ' 42' ' ' LEU . 22.7 m -64.95 149.64 49.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.846 ' CG ' HD22 ' A' ' 118' ' ' LEU . 25.1 p90 -145.12 177.96 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 65' ' ' SER . 0.9 OUTLIER -170.53 177.15 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.931 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 t -121.04 116.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 63' ' ' ALA . 11.1 mtm-85 -105.87 165.19 11.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 40.4 tt0 -129.72 156.06 44.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.8 tpt85 -97.2 158.03 15.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.7 -33.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -53.68 -45.96 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -136.37 113.95 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.56 -28.82 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.78 54.24 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -141.25 163.93 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 77' ' ' ILE . 22.2 m-85 -160.22 167.64 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -151.27 157.45 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 77' ' ' ILE . 63.6 mt -128.82 102.32 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' ' 51' ' ' LEU . 32.4 t -100.55 133.96 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.57 145.82 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.4 tptp -92.95 120.58 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.471 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 3.0 t80 -167.4 138.86 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.2 t-20 72.63 54.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.59 25.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASN . 14.8 mt-10 -156.66 137.6 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' A' ' 39' ' ' GLU . 86.7 t -87.4 123.48 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.592 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 14.8 mmtm -98.19 163.23 12.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.592 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.4 m-70 -152.67 137.2 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.453 ' CA ' ' HD1' ' B' ' 7' ' ' PTR . 5.1 mp -125.09 150.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -97.03 147.08 24.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 62' ' ' PHE . 58.7 mt -113.18 156.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.502 ' N ' HG22 ' A' ' 77' ' ' ILE . 40.0 mtm -125.41 160.04 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 83' ' ' LEU . 80.4 p -147.64 125.46 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.88 -74.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -115.5 15.55 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.77 14.04 3.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.599 HD22 ' N ' ' A' ' 83' ' ' LEU . 2.5 mm? -97.39 179.79 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 2.0 m-85 -143.5 121.86 12.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -159.58 130.15 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.497 HG13 HG23 ' A' ' 87' ' ' THR . 18.8 pt -84.29 -24.5 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.497 HG23 HG13 ' A' ' 86' ' ' ILE . 40.3 p -119.4 178.2 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -93.88 -27.18 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -76.51 -55.57 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 12.2 tppt? -85.86 149.51 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -150.05 159.95 44.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.638 ' CD1' HD12 ' A' ' 98' ' ' LEU . 10.0 m-85 -139.48 166.27 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -85.32 -44.39 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.63 154.9 24.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 55.6 tp -48.72 -45.35 39.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 m -49.18 -67.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -44.84 -52.49 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.638 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.1 tt -48.33 -35.06 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.516 HG13 HD13 ' A' ' 118' ' ' LEU . 88.1 t -82.27 -51.93 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -64.4 -5.37 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.514 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 73.6 t80 -97.61 -47.99 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.564 ' CD1' HD23 ' A' ' 107' ' ' LEU . 1.6 m-85 -52.79 -36.26 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.25 -17.99 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -104.39 -34.24 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.62 112.69 25.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -52.99 135.03 37.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 102' ' ' TYR . 88.3 mt -59.21 -13.56 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -67.88 -18.69 64.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.28 -38.32 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.04 -38.12 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' B' ' 10' ' ' PRO . 2.9 m-85 -103.49 163.89 12.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -26.29 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.5 m -83.32 -42.73 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.743 HD11 ' OE2' ' B' ' 8' ' ' GLU . 28.7 mt -82.68 98.71 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -97.69 37.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -153.86 160.76 42.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.07 163.42 19.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.846 HD22 ' CG ' ' A' ' 50' ' ' PHE . 36.3 mt -43.97 110.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -93.48 -44.68 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.0 m-85 -147.42 138.97 13.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 54.1 Cg_endo -69.75 -169.84 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.757 2.305 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -71.36 -34.14 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -92.9 -65.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 14.1 pt-20 -175.18 153.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -175.39 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.726 2.284 . . . . 0.0 112.309 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -168.68 124.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -77.97 128.01 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -174.28 140.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.2 p -134.82 155.91 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.1 tp -174.19 148.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.4 p -141.01 113.12 7.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -113.9 169.7 8.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.3 p -127.78 151.27 49.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -169.7 90.06 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -3.08 11.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 137' ' ' SER . 62.2 p -57.72 -52.67 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 136' ' ' SER . 8.3 t -34.75 117.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.506 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -107.76 118.76 37.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -157.77 122.54 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.84 88.3 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.74 47.08 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -113.04 -39.49 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.453 ' HD1' ' CA ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.743 ' OE2' HD11 ' A' ' 114' ' ' LEU . 12.3 mt-10 -67.9 174.42 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -136.15 133.43 19.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.683 0.754 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.486 ' HG3' HG22 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.79 174.3 9.73 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -70.41 116.44 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -94.81 -52.82 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -49.6 -43.78 46.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -96.2 108.15 20.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -156.07 173.02 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.819 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -154.0 174.1 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.49 -154.17 6.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -163.32 171.99 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.349 . . . . 0.0 110.898 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -147.51 163.79 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.06 -156.39 25.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -173.43 140.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.07 177.68 4.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -152.43 141.75 21.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.3 158.13 39.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -150.73 126.15 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -103.41 169.81 8.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 21.7 m-80 -148.48 129.4 14.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -133.83 42.98 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.417 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -98.8 94.48 6.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.88 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' GLY . 27.7 mp0 -120.58 81.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . 34.33 65.97 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 153.55 68.8 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.7 Cg_endo -69.77 -175.62 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PRO . 61.5 tt0 -34.61 134.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' SER . 23.9 t70 -143.39 141.33 30.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' A' ' 62' ' ' PHE . 19.5 mt -35.8 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ASP . 27.4 t -39.46 -46.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 26' ' ' HIS . 24.2 m -40.18 -44.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.194 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.471 ' N ' HG23 ' A' ' 25' ' ' VAL . 55.0 m80 -63.33 147.19 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.43 -10.3 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 15.3 p-90 -130.28 127.76 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -148.76 151.94 35.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.04 110.92 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.1 -151.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.3 Cg_endo -69.77 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 25.9 ttp -35.37 135.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -80.56 171.85 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -47.68 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.27 -39.69 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.42 -37.33 94.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.659 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -66.91 -61.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' HA ' HG11 ' A' ' 72' ' ' VAL . 28.2 mt-10 -38.33 -51.98 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.532 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.8 m -43.08 -53.42 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.563 HG22 HD13 ' A' ' 42' ' ' LEU . 76.5 mt -52.56 -70.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -49.74 -24.41 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -70.08 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.54 -41.75 90.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -66.42 -178.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 m -68.18 161.23 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.52 120.67 14.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.9 5.77 23.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.458 HG22 HD12 ' A' ' 42' ' ' LEU . 16.7 m -65.53 157.85 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.958 ' CG ' HD22 ' A' ' 118' ' ' LEU . 18.8 p90 -155.31 167.44 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 2.6 pp -163.27 177.05 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.882 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -123.57 118.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -121.35 155.88 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.468 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 6.4 tt0 -102.53 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 10.1 mtt-85 -93.69 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 m -110.01 -36.55 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -50.07 -38.6 38.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 29.3 t70 -145.82 130.08 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.24 -56.47 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.17 75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -155.83 164.78 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 23' ' ' LEU . 27.6 m-85 -161.5 165.52 28.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.8 164.93 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.7 mt -134.48 115.36 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 m -111.41 130.99 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.522 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.06 144.7 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.5 tptp -90.49 126.55 35.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -171.94 139.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.625 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.8 t-20 69.32 52.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 45.18 25.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -158.38 143.93 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 39' ' ' GLU . 85.3 t -93.88 120.67 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -95.45 152.95 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 35' ' ' ARG . 2.0 m-70 -131.95 147.81 52.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.474 ' N ' ' HD2' ' B' ' 7' ' ' PTR . 48.6 mt -132.01 136.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' HD3' ' NH2' ' A' ' 55' ' ' ARG . 25.5 ttpp -89.53 151.74 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 62' ' ' PHE . 69.3 mt -125.81 145.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 79' ' ' THR . 30.3 mtm -121.66 161.86 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 78' ' ' MET . 41.1 p -157.21 115.33 3.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.33 -66.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -111.42 48.54 0.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.82 31.16 65.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -124.31 133.11 53.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.532 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 5.9 m-85 -102.74 125.57 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -161.98 140.4 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.6 pt -97.65 -16.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.7 p -141.04 161.08 38.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.81 -34.42 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -64.04 -50.58 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.3 tppt? -100.22 147.79 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -152.01 162.38 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -142.6 170.67 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -92.8 -44.13 8.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.04 151.78 21.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 52' ' ' VAL . 21.2 tp -48.06 -49.3 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.6 m -41.87 -56.13 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -61.18 -49.35 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.524 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.7 tt -45.93 -35.15 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.764 HG13 HD13 ' A' ' 118' ' ' LEU . 83.7 t -90.33 -39.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.68 -5.26 36.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.502 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 88.7 t80 -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.55 ' HA ' ' ND2' ' A' ' 105' ' ' ASN . 2.2 m-85 -53.23 -32.31 47.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -60.67 -11.34 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -112.75 -15.01 13.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.55 ' ND2' ' HA ' ' A' ' 102' ' ' TYR . 0.3 OUTLIER -129.84 109.56 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.409 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 29.5 t -45.43 131.15 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 116' ' ' THR . 17.9 mt -54.98 -19.45 6.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 8.1 pttp -57.59 -22.9 47.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.23 -43.6 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.435 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 63.8 m -96.47 -58.58 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -87.35 160.41 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -47.03 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -57.0 -47.83 79.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.1 mt -79.72 99.89 7.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 3.8 t70 -102.2 31.23 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 107' ' ' LEU . 14.2 t -146.17 155.16 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.409 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -111.56 165.81 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.958 HD22 ' CG ' ' A' ' 50' ' ' PHE . 52.1 mt -47.23 111.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.4 -51.74 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -142.13 136.7 15.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.447 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.75 -166.88 0.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.748 2.298 . . . . 0.0 112.341 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.415 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -73.86 -36.41 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -91.75 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.447 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 10.6 pt-20 -175.1 152.28 1.45 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.75 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.8 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -154.02 122.74 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -90.33 164.86 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 56.76 42.64 26.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 25.8 p -134.82 119.79 18.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 130' ' ' ILE . 19.2 tt -153.69 123.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.1 p -118.3 125.81 50.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.574 ' H ' ' NE ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -130.26 146.65 51.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 51.0 m -157.97 179.49 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.05 72.44 0.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 137' ' ' SER . 47.7 t -167.46 126.16 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 136' ' ' SER . 43.6 t -35.01 102.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.513 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -81.3 45.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.35 145.68 29.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -122.76 88.64 2.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.5 50.15 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.7 -46.42 8.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.474 ' HD2' ' N ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -50.71 135.92 22.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -94.48 142.57 24.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.89 63.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 58.4 m-20 -69.38 141.34 54.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -98.12 -40.59 8.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -50.88 -47.52 60.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 15' ' ' GLU . 16.6 pt-20 -52.22 110.93 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 14' ' ' GLU . 3.2 tp10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -169.95 165.24 9.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -174.1 176.18 2.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.09 178.61 42.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -153.92 172.69 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -169.98 172.82 6.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.08 108.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.88 152.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.38 146.45 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -135.45 153.2 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.46 176.07 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -145.09 131.84 20.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.46 146.37 23.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -140.04 162.0 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -112.97 -46.06 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 166.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -132.36 82.57 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.26 84.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 166.31 28.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 179.14 3.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.32 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -61.7 154.89 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.618 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.3 m-20 -146.6 143.49 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.705 HD11 ' CE1' ' A' ' 62' ' ' PHE . 14.8 mt -42.91 -24.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' ASP . 56.1 p -48.66 -41.55 31.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 22' ' ' ASP . 16.1 m -42.64 -30.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -80.06 151.84 29.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.0 tp -64.99 -8.6 16.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.819 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 19.9 p-90 -132.4 127.75 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -148.46 147.78 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -152.63 110.43 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.88 -152.72 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.541 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.5 Cg_endo -69.78 6.28 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttm -29.68 137.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -173.52 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' NH1' ' ND1' ' A' ' 74' ' ' HIS . 13.1 tpp180 -61.45 -69.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.14 -27.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.47 -34.65 63.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.687 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -74.21 -62.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.676 ' HA ' HG11 ' A' ' 72' ' ' VAL . 21.1 mt-10 -41.85 -53.51 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.565 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 26.8 t -42.52 -55.11 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.476 HD11 ' HE1' ' A' ' 33' ' ' MET . 85.1 mt -48.74 -70.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.64 -14.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -81.14 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -60.23 -28.88 68.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -78.63 174.26 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -61.51 157.17 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -68.08 114.84 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.73 2.03 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.5 m -66.04 155.55 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.657 ' CG ' HD22 ' A' ' 118' ' ' LEU . 32.5 p90 -151.32 166.96 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 2.1 pp -161.65 175.85 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.928 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.54 112.99 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.546 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -107.24 168.85 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 42.2 tt0 -131.16 154.15 48.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.1 ptm180 -94.0 171.52 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 m -104.59 -29.23 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -59.24 -59.0 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -120.15 110.07 16.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.62 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.76 75.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 62' ' ' PHE . 5.4 tm-20 -169.78 170.13 8.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.705 ' CE1' HD11 ' A' ' 23' ' ' LEU . 33.0 m-85 -163.08 173.66 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.448 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -149.84 163.98 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.485 HG13 HD11 ' A' ' 77' ' ' ILE . 70.6 mt -135.59 107.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 m -106.56 131.4 53.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.489 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -139.59 144.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 12.1 tptm -91.0 133.15 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -175.58 134.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.7 t-20 71.24 55.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.774 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.0 OUTLIER 40.63 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' ASN . 8.2 mt-10 -156.0 133.23 10.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 39' ' ' GLU . 48.1 t -87.16 125.01 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.556 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 35.5 mmtt -101.44 164.26 11.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -147.41 145.2 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.7 mt -129.75 123.37 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HB2' ' CD2' ' B' ' 7' ' ' PTR . 25.1 ttmt -83.4 130.61 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.539 HD12 ' C ' ' A' ' 62' ' ' PHE . 25.3 mt -98.59 156.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.484 ' N ' HG22 ' A' ' 77' ' ' ILE . 27.8 mtm -132.44 146.2 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.6 p -136.33 138.08 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.08 -74.88 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -108.4 47.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.05 30.58 50.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.7 mt -124.88 144.16 50.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.557 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 2.9 m-85 -113.51 127.76 56.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -161.95 144.36 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.48 HD11 ' OH ' ' A' ' 102' ' ' TYR . 7.6 pt -102.98 -13.92 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.3 p -141.37 160.19 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -74.69 -32.19 62.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -61.72 -59.93 4.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 8.4 tppt? -98.58 147.85 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -144.6 154.65 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -131.71 171.91 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 4.5 ppt_? -98.43 -35.18 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.557 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -144.57 155.22 26.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.461 HD13 HD13 ' A' ' 77' ' ' ILE . 60.2 tp -56.56 -39.4 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -50.1 -55.66 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.82 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.9 tt -49.13 -28.84 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 118' ' ' LEU . 90.2 t -92.96 -43.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.455 ' O ' ' NE2' ' A' ' 104' ' ' GLN . 8.2 mm-40 -71.99 -5.47 35.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.511 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 79.7 t80 -97.38 -50.76 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.6 m-85 -53.32 -32.59 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.445 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 49.0 mt-30 -59.47 -12.53 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 100' ' ' GLU . 1.6 mp0 -112.75 -15.53 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -130.12 109.02 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.432 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 7.7 t -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 102' ' ' TYR . 9.2 mt -58.09 -16.88 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -59.19 -16.86 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -59.26 -36.91 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 64.3 m -104.39 -58.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.439 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 23.1 m-85 -87.18 158.49 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.1 -42.87 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -57.24 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 mt -77.05 96.18 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.48 23.12 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -136.18 -177.28 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -138.76 171.01 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.759 HD13 HG13 ' A' ' 99' ' ' VAL . 48.1 mt -50.51 107.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.421 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 60.9 mt-30 -89.99 -48.49 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.487 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-85 -143.97 136.54 13.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.77 -171.25 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.4 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 1.4 t80 -69.77 -52.4 25.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -67.72 -70.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 3.5 pt-20 -175.17 151.68 1.37 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 129.18 17.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -166.29 113.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -103.04 80.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -174.3 118.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 73.4 p -77.59 91.86 4.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 131' ' ' SER . 11.9 tt -131.33 -41.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 130' ' ' ILE . 2.4 t -113.26 101.53 9.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 132' ' ' ARG . 4.4 ppt_? -97.86 -29.37 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -79.52 110.64 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -109.48 -156.19 16.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.432 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -175.87 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.9 t -160.83 109.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.1 t -122.68 173.25 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.438 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.92 41.75 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.881 0.372 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.11 93.94 9.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -150.79 136.27 17.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.68 81.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.545 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -69.78 -40.57 75.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.443 ' N ' ' HD2' ' B' ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -45.24 148.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -107.26 141.02 22.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.21 53.4 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.283 . . . . 0.0 112.314 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 25.4 m-20 -63.72 114.43 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -78.08 -38.8 43.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -47.77 -54.05 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.4 140.23 57.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -127.55 163.23 24.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -60.86 170.67 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.74 121.45 1.47 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -165.51 134.62 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -152.06 134.45 15.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 130.08 6.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -136.04 125.47 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.14 161.13 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.24 129.17 29.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.27 152.99 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -148.14 145.41 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -157.7 118.54 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -126.68 80.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -124.5 72.94 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -125.62 -21.14 4.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.21 96.11 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.48 -73.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 169.01 19.84 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.75 -169.29 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' PRO . 45.1 tt0 -36.27 139.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -141.46 149.9 41.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.617 HD11 ' CE1' ' A' ' 62' ' ' PHE . 17.2 mt -40.62 -30.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 m -40.21 -44.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 26' ' ' HIS . 33.4 m -43.91 -46.38 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.534 ' N ' HG23 ' A' ' 25' ' ' VAL . 45.8 m80 -61.94 146.03 51.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.34 -9.49 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.719 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.0 p-90 -131.52 128.36 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -148.43 140.57 24.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.94 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.49 110.09 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.66 -144.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.8 6.01 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.2 ttp -29.72 137.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.62 175.87 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HD3' ' CD ' ' A' ' 39' ' ' GLU . 5.7 tmm_? -45.33 -68.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.92 -30.28 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.92 -27.72 73.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.623 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -92.65 -60.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 23.8 mt-10 -43.7 -43.97 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -53.0 -37.35 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.592 HG22 HD13 ' A' ' 42' ' ' LEU . 95.4 mt -69.69 -71.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.697 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -54.32 -21.52 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -72.27 -63.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.05 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -62.05 -37.37 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HD3' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -65.34 -179.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 m -67.42 146.56 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.38 108.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.01 7.6 4.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 50' ' ' PHE . 10.0 m -70.25 161.09 30.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 16.6 p90 -156.56 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 65' ' ' SER . 0.9 OUTLIER -163.57 177.2 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.94 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.2 t -118.49 114.73 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 29.7 mtm180 -100.03 169.04 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.479 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 52.7 tt0 -133.42 157.58 45.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.0 mmt180 -94.0 161.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.3 m -106.8 -5.93 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -85.68 -47.35 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' ALA . 5.6 m-20 -135.08 102.87 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.44 -42.86 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.81 69.62 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -169.28 129.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 23' ' ' LEU . 48.4 m-85 -128.8 177.62 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -156.0 165.66 35.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 98' ' ' LEU . 16.4 mt -129.99 118.65 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.635 ' HB2' HD11 ' A' ' 51' ' ' LEU . 50.4 m -113.2 117.28 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.463 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -130.35 141.01 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 15.1 tptm -87.32 137.4 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -174.46 135.36 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.666 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.0 t-20 66.47 51.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 46.31 25.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 5.2 mm-40 -152.39 136.87 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' A' ' 39' ' ' GLU . 18.7 t -94.49 124.65 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.613 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 53.0 mmtt -100.24 170.82 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.613 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -150.58 141.41 22.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.729 HD11 HD23 ' A' ' 107' ' ' LEU . 26.2 mt -121.99 128.33 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -87.67 126.61 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -100.16 135.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.8 mtm -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.6 p -143.1 127.61 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.63 -69.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.52 47.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.94 63.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -123.58 139.55 53.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 0.5 OUTLIER -117.3 128.83 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -162.44 139.23 7.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.507 HG21 HG21 ' A' ' 75' ' ' ILE . 2.9 pt -90.79 -19.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' B' ' 10' ' ' PRO . 11.5 p -140.99 166.55 24.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -75.76 -26.35 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.0 -59.45 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.23 150.24 22.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.16 168.83 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.558 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 20.8 m-85 -140.44 169.53 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.39 -20.65 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.519 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -150.05 152.53 24.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.482 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.718 HD21 HG11 ' A' ' 52' ' ' VAL . 23.2 tp -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.6 m -57.59 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -51.64 -45.87 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.558 ' HG ' ' CE1' ' A' ' 92' ' ' PHE . 7.5 tt -48.66 -42.76 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.4 t -79.83 -45.38 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.78 -5.66 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.549 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 43.2 t80 -96.92 -51.16 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.537 ' HA ' ' ND2' ' A' ' 105' ' ' ASN . 2.3 m-85 -47.88 -47.29 31.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.407 ' HG2' ' HB2' ' A' ' 118' ' ' LEU . 72.1 mt-30 -43.2 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 102' ' ' TYR . 9.6 mt-30 -102.73 -35.81 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.549 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -104.84 114.15 28.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.407 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 9.1 t -61.92 136.09 57.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.729 HD23 HD11 ' A' ' 75' ' ' ILE . 7.5 mp -59.42 -10.42 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -64.85 -16.9 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.34 -47.81 46.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 40.6 m -95.11 -50.2 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.412 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.4 m-85 -95.73 123.31 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -15.34 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.2 m -78.22 -53.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.723 HD13 ' CD2' ' A' ' 107' ' ' LEU . 3.0 mt -82.87 114.71 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -105.34 24.43 12.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -141.31 163.89 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -115.13 174.18 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 1.8 mp -61.22 109.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.485 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 25.6 mm-40 -87.95 -49.2 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.2 m-85 -142.9 138.39 15.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.22 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.404 ' CE2' ' HG2' ' A' ' 123' ' ' LYS . 0.7 OUTLIER -75.39 -40.17 58.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.404 ' HG2' ' CE2' ' A' ' 122' ' ' PHE . 3.4 mtpm? -85.03 -65.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -175.04 151.28 1.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 148.8 65.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -94.96 153.44 17.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 40.76 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -173.93 131.72 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 129' ' ' THR . 5.5 t -134.38 120.21 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 130' ' ' ILE . 6.2 tp -122.78 45.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.0 p -86.73 125.71 34.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.406 ' N ' ' HD3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -126.74 -29.81 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 t -162.04 133.58 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -100.39 -164.2 28.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 95.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.7 t -89.33 137.99 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 98.1 p -165.37 174.97 9.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.514 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -138.45 141.36 39.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.48 121.1 43.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -120.32 103.28 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.34 60.24 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -93.84 -29.61 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.416 ' HD2' ' C ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.548 ' HG3' HD12 ' A' ' 114' ' ' LEU . 3.8 mm-40 -45.22 146.8 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -112.23 138.9 21.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.419 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.5 Cg_endo -69.79 163.03 39.82 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -73.28 144.34 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -87.58 -44.55 11.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -43.73 -51.01 7.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.28 154.67 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -58.82 -50.49 73.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.896 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 p -104.09 94.9 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.18 139.33 3.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -96.32 166.7 11.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -94.95 -48.32 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.85 -170.17 23.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -149.58 158.18 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.322 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.16 152.83 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -165.7 137.24 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.18 174.48 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -46.88 167.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -134.05 -54.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -127.61 155.4 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -100.17 -49.9 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -44.41 169.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -130.59 85.08 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.76 74.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 118.15 5.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.8 Cg_endo -69.76 101.09 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' PRO . 74.3 mt-30 35.64 42.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LEU . 17.4 t70 -51.22 168.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD11 ' CE1' ' A' ' 62' ' ' PHE . 24.4 mt -51.39 -18.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -52.64 -37.51 58.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.7 m -51.7 -17.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.171 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.2 m80 -92.39 147.04 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 126' ' ' GLU . 7.0 tp -59.31 -9.61 2.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 12.3 p-90 -131.87 127.65 36.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.65 146.11 28.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.923 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -151.31 110.56 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.4 -155.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.79 4.76 2.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.571 ' HE1' HD12 ' A' ' 41' ' ' ILE . 8.1 ttp -32.53 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -85.5 174.43 9.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 8.1 tmm_? -55.16 -61.69 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -32.51 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -72.13 -30.16 65.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.65 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -76.91 -63.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HA ' HG11 ' A' ' 72' ' ' VAL . 17.0 mt-10 -38.24 -53.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.8 t -45.39 -52.17 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.571 HD12 ' HE1' ' A' ' 33' ' ' MET . 34.3 mt -48.05 -70.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.731 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.98 -26.96 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -69.07 -62.2 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -49.8 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -175.22 -176.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.83 104.23 16.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.81 -1.58 9.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 50' ' ' PHE . 10.2 m -64.94 160.25 21.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.786 ' CG ' HD22 ' A' ' 118' ' ' LEU . 21.0 p90 -152.91 168.52 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.557 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 pp -161.18 177.11 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.923 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.94 117.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 8.8 mtm-85 -108.53 164.2 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.479 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 53.1 tt0 -115.39 159.99 20.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 ttm180 -93.72 172.7 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 -33.42 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.45 -46.68 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.468 ' CB ' ' OE1' ' A' ' 61' ' ' GLU . 20.3 m-20 -142.48 131.75 23.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.4 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . . . -78.48 57.72 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' OE1' ' CB ' ' A' ' 58' ' ' ASP . 17.1 mp0 -151.22 161.53 42.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.765 ' CE1' HD11 ' A' ' 23' ' ' LEU . 38.2 m-85 -162.85 175.04 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.82 164.08 38.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.462 HG13 HD11 ' A' ' 77' ' ' ILE . 71.7 mt -134.95 100.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 32.1 t -93.97 141.83 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.523 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -146.92 144.41 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.5 tptp -92.79 132.9 36.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.44 ' HB2' HG21 ' A' ' 116' ' ' THR . 5.4 t80 -175.15 137.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.665 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.9 t-20 66.21 52.21 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.25 24.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -154.17 138.04 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 39' ' ' GLU . 43.5 t -97.14 119.38 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.513 ' CG ' HD11 ' A' ' 114' ' ' LEU . 24.0 mmtt -95.44 167.72 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.442 ' HB2' ' CD1' ' B' ' 7' ' ' PTR . 12.3 m-70 -137.77 140.66 40.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.51 HG12 ' CG ' ' B' ' 8' ' ' GLU . 7.8 mt -121.39 115.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -78.34 141.54 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.694 HD13 HD13 ' A' ' 95' ' ' LEU . 57.5 mt -113.57 131.43 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 31.9 mtm -104.09 148.95 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 p -144.64 131.73 20.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.06 -58.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -116.65 44.24 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.52 31.29 61.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.4 HD22 ' O ' ' A' ' 92' ' ' PHE . 37.8 mt -123.7 145.42 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.518 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 2.3 m-85 -114.15 121.51 43.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -154.0 141.74 20.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.035 HD12 HG23 ' A' ' 87' ' ' THR . 2.1 pp -101.67 -13.23 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.035 HG23 HD12 ' A' ' 86' ' ' ILE . 1.4 p -148.81 127.03 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -42.77 -24.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 87' ' ' THR . 25.3 mmmt -68.66 -51.5 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 5.6 tppp? -100.61 146.78 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -148.86 134.23 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -116.22 172.66 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.57 -31.67 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.02 141.94 9.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.694 HD13 HD13 ' A' ' 77' ' ' ILE . 47.5 tp -43.93 -42.63 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.3 m -44.75 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.11 -51.98 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 92' ' ' PHE . 6.1 tt -43.93 -37.71 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.747 HG13 ' CD1' ' A' ' 118' ' ' LEU . 93.0 t -85.68 -47.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.2 -5.24 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.526 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 75.6 t80 -97.23 -49.56 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.624 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.5 m-85 -53.04 -31.6 42.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -60.55 -11.24 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -115.04 -14.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -130.38 109.81 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -45.97 134.11 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.624 HD23 ' CE1' ' A' ' 102' ' ' TYR . 14.1 mt -60.37 -15.85 29.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 6.5 ptmt -56.12 -22.46 28.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.96 -31.62 41.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 13.3 m -120.85 -48.68 2.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' B' ' 8' ' ' GLU . 2.7 m-85 -92.18 85.5 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -41.49 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -57.49 -54.21 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 73' ' ' LYS . 5.9 mp -79.72 100.25 7.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 6.4 t70 -96.79 34.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.483 ' O ' HD12 ' A' ' 107' ' ' LEU . 13.9 t -141.2 157.33 45.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.65 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.786 HD22 ' CG ' ' A' ' 50' ' ' PHE . 60.4 mt -43.12 109.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.87 -51.99 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -142.32 138.66 16.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.411 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.75 -166.44 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -72.77 -51.8 17.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.409 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 33.0 mttt -69.86 -69.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.87 150.76 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 144.49 54.41 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 22.7 mm-40 -152.28 165.32 35.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.82 171.43 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -154.69 130.97 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.8 p -106.2 41.35 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.4 tp -50.38 -36.91 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.3 p -151.63 162.89 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -92.27 -49.8 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.7 m -148.64 139.26 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -162.81 114.32 0.6 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.34 50.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.386 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 91.9 p -102.35 152.33 21.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 34.3 p -104.66 -44.53 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.516 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -125.35 157.84 35.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -101.76 114.77 29.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -84.87 -43.29 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 50.3 65.6 2.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -95.43 -39.03 10.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 74' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.574 ' HG2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -41.83 163.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -134.98 133.38 20.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.417 ' HB3' HG21 ' A' ' 87' ' ' THR . 53.8 Cg_endo -69.76 177.17 5.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -91.57 122.8 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -85.72 -31.86 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.92 -67.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -43.14 113.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 m -57.12 150.87 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -109.65 174.4 5.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.88 -142.33 8.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -44.04 116.63 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 58.5 41.96 21.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.75 98.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -135.8 163.24 30.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.54 134.72 54.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -148.6 166.46 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.64 144.83 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 40.7 mt-10 -123.27 100.32 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 28.1 mt-30 -164.32 178.07 7.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -39.83 121.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.429 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 8.6 p-90 -117.67 31.42 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.2 p90 -120.57 122.56 40.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -155.4 104.99 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.09 63.66 0.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 164.44 34.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.75 -166.52 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' PRO . 25.4 mt-30 -36.13 112.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 24' ' ' SER . 23.7 t0 -134.92 161.73 34.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD11 ' CE1' ' A' ' 62' ' ' PHE . 20.1 mt -43.77 -22.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 22' ' ' ASP . 36.6 p -45.74 -43.48 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 26' ' ' HIS . 28.4 m -42.67 -40.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.413 ' N ' HG23 ' A' ' 25' ' ' VAL . 64.7 m80 -69.02 152.5 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.7 tp -66.2 -3.45 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.765 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 13.6 p-90 -138.0 127.27 24.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -149.6 145.06 26.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.39 109.89 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -154.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.77 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.1 ttp -31.24 143.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.78 160.69 28.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.3 tmm_? -43.47 -62.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -31.53 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -64.88 -34.19 89.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.894 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -77.24 -60.66 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.625 ' HA ' HG11 ' A' ' 72' ' ' VAL . 25.8 mt-10 -38.12 -57.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.2 t -49.57 -46.62 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.521 HG22 HD13 ' A' ' 42' ' ' LEU . 89.7 mt -55.62 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -49.65 -17.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -82.24 -63.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -61.82 -25.88 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -176.1 169.46 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.93 97.68 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.41 4.76 5.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -72.48 153.86 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.764 ' CG ' HD22 ' A' ' 118' ' ' LEU . 10.9 p90 -148.25 169.23 20.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 65' ' ' SER . 1.1 pt? -162.83 177.26 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.891 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -120.82 117.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 4.9 mtm105 -105.01 170.06 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 43.1 tt0 -128.76 158.88 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 tpt180 -96.22 150.17 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 m -86.77 -40.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -52.36 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.17 137.65 26.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.68 41.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.21 42.61 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 19.7 mp0 -158.15 175.34 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.688 ' CE1' HD11 ' A' ' 23' ' ' LEU . 60.9 m-85 -162.24 176.12 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.06 164.37 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mt -133.1 101.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.677 ' HB2' HD21 ' A' ' 51' ' ' LEU . 70.0 m -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.51 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.93 143.04 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 66' ' ' ILE . 20.1 tptm -88.51 128.63 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CZ ' ' OD1' ' A' ' 115' ' ' ASP . 1.0 OUTLIER -164.72 136.89 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.666 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.2 t-20 62.85 52.66 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.43 25.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.46 132.49 15.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 39' ' ' GLU . 24.6 t -92.07 118.49 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.53 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.1 mmtt -94.38 172.11 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.53 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -148.89 139.06 22.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.467 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.2 mp -120.74 130.67 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -85.05 136.23 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.423 HD13 HD13 ' A' ' 95' ' ' LEU . 55.9 mt -108.47 131.95 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.5 mtm -104.15 154.83 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 83' ' ' LEU . 20.5 p -151.09 134.78 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.0 -68.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -110.43 49.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.98 27.79 68.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' THR . 64.8 mt -117.89 145.71 44.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.325 . . . . 0.0 110.973 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.433 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 8.0 m-85 -117.77 124.05 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -160.82 139.37 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.714 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -101.23 -13.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.714 HG23 HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -148.48 125.87 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -44.19 -28.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -56.78 -53.32 59.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 29.7 tptt -113.74 140.59 48.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.06 44.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 1.6 m-85 -122.91 168.94 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -87.11 -49.02 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.433 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -132.58 153.45 20.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.423 HD13 HD13 ' A' ' 77' ' ' ILE . 59.8 tp -50.65 -41.78 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.2 m -48.34 -62.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.32 -53.87 38.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 6.7 tt -43.12 -38.8 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.768 HG13 ' CD1' ' A' ' 118' ' ' LEU . 85.7 t -81.6 -46.6 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.62 -5.33 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -96.23 -47.94 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.7 m-85 -53.53 -44.25 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -44.31 -21.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.1 mp0 -106.93 -28.71 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -111.09 112.22 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 t -48.47 131.38 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.932 HD12 ' O ' ' A' ' 116' ' ' THR . 8.8 mt -52.57 -15.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -62.84 -23.59 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.27 -41.81 63.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.8 m -99.45 -59.43 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.514 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 50.7 m-85 -84.59 168.71 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -101.83 -59.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -47.86 -53.9 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.81 103.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.55 ' OD1' ' CZ ' ' A' ' 68' ' ' TYR . 0.6 OUTLIER -104.0 14.33 30.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.932 ' O ' HD12 ' A' ' 107' ' ' LEU . 13.4 t -136.71 156.51 48.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.99 166.9 10.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.768 ' CD1' HG13 ' A' ' 99' ' ' VAL . 43.4 mt -45.78 112.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.37 -51.69 5.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -140.36 134.62 15.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.4 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 53.8 Cg_endo -69.74 178.92 4.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.476 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 1.2 t80 -59.63 -48.95 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.476 ' HG2' ' CD2' ' A' ' 122' ' ' PHE . 14.5 mtpt -72.32 -70.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.488 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 6.1 pt-20 -176.15 152.58 1.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.24 39.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.294 . . . . 0.0 112.332 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -86.65 166.26 15.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -109.6 139.16 44.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -174.84 153.83 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.0 p -141.44 140.56 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 12.9 tt -174.74 144.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.4 t -106.95 -63.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.6 ttm-85 -57.53 139.54 53.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.8 m -97.9 43.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.08 -154.22 40.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 179.38 3.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.0 p -130.03 -31.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.7 t -104.91 106.53 17.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.476 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -89.35 94.84 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -101.57 85.26 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -43.19 -55.27 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.01 75.23 2.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -126.61 -43.07 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.761 0.315 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.421 ' HD1' ' C ' ' A' ' 74' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -53.77 142.36 23.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -101.34 135.61 19.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.401 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.9 Cg_endo -69.76 155.23 66.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.508 ' ND2' ' C ' ' A' ' 111' ' ' PHE . 7.2 m-80 -54.14 131.41 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 13' ' ' GLU . 4.3 pt-20 -39.05 -57.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 12' ' ' GLU . 32.1 mm-40 -37.31 -45.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.77 95.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t 56.89 42.64 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -159.43 148.13 17.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.38 106.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -59.9 173.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.385 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -151.07 112.68 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.99 -176.79 32.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -126.13 146.52 49.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.32 169.21 13.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -93.61 42.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 53.67 42.54 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -111.03 102.92 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -131.77 54.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -85.76 12.76 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -80.13 42.93 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 95.72 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -115.23 85.97 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.73 70.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 129.91 18.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.54 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -38.4 103.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.814 ' O ' HG22 ' A' ' 25' ' ' VAL . 34.6 t0 -132.16 162.89 29.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.93 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 27.3 mt -53.28 -20.82 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 p -52.86 -35.6 57.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 22' ' ' ASP . 15.0 m -50.01 -27.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 56.4 m80 -81.92 153.12 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.96 -3.68 7.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.686 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 19.9 p-90 -137.44 127.59 26.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -149.68 145.77 26.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.98 110.57 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.07 -151.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.0 Cg_endo -69.69 4.31 2.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.483 ' HE1' HD12 ' A' ' 41' ' ' ILE . 12.6 ttp -32.72 133.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.1 pt-20 -69.82 154.19 42.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.4 tmm_? -34.97 -64.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.65 28.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -47.56 -34.59 9.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.543 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -79.29 -51.17 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.65 ' HA ' HG21 ' A' ' 72' ' ' VAL . 41.1 mt-10 -38.49 -54.1 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -50.97 -50.15 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.483 HD12 ' HE1' ' A' ' 33' ' ' MET . 15.2 mt -54.51 -59.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.429 ' CB ' ' HB2' ' A' ' 67' ' ' LYS . 6.5 mt -70.79 -14.59 62.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -76.91 -62.51 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -58.32 -42.25 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 45' ' ' ARG . 1.6 mpt_? -60.21 -174.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -78.0 147.44 34.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.21 104.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.67 -1.83 2.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.42 ' C ' HD22 ' A' ' 42' ' ' LEU . 17.6 m -66.42 156.87 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.122 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CZ ' ' OE1' ' A' ' 103' ' ' GLN . 17.9 p90 -149.81 175.22 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -170.18 177.44 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.686 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 2.4 t -123.14 105.27 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.543 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 12.1 mtm105 -96.88 169.2 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.466 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 29.8 tt0 -126.89 155.15 43.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.495 ' NE ' ' O1P' ' B' ' 7' ' ' PTR . 39.1 mtt-85 -93.85 156.04 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.0 -35.62 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -45.77 -46.91 15.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -152.77 119.42 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.0 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.05 47.31 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.03 141.7 16.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.93 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 42.5 m-85 -129.77 173.19 10.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.03 141.58 19.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.963 HG13 HD11 ' A' ' 77' ' ' ILE . 49.2 mt -107.25 108.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.486 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 10.5 t -105.82 118.48 36.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.508 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -126.53 142.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 42' ' ' LEU . 15.2 tptm -91.75 125.2 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.435 ' HB2' HG21 ' A' ' 116' ' ' THR . 2.2 t80 -162.76 134.96 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.603 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.0 t-20 71.62 52.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.1 m 44.45 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -149.14 136.32 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' A' ' 39' ' ' GLU . 97.6 t -89.95 124.92 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 47.5 mmtt -106.18 162.97 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.486 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -148.0 144.88 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.477 ' CA ' ' HD1' ' B' ' 7' ' ' PTR . 36.9 mt -129.91 135.03 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -85.25 128.45 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 64' ' ' ILE . 41.8 mt -104.29 132.17 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 69.4 mtm -96.26 164.41 12.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -137.17 136.45 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.484 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -137.71 109.82 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 48.8 45.69 21.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.63 53.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 80' ' ' ALA . 30.2 mt -106.73 -179.69 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 27.9 m-85 -152.87 120.6 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -158.35 136.42 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.046 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -99.15 -11.97 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.046 HG23 HD12 ' A' ' 86' ' ' ILE . 8.1 p -144.21 136.59 26.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.44 -21.48 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -79.01 -52.55 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.597 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -89.7 151.99 21.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.566 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -155.31 156.58 35.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.597 ' CE1' ' HG3' ' A' ' 90' ' ' LYS . 1.2 m-85 -143.26 173.98 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -95.49 -38.82 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.84 153.71 22.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 62' ' ' PHE . 62.7 tp -51.47 -48.56 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -46.77 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 97' ' ' GLU . 6.6 mp0 -41.47 -45.14 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.482 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.2 tt -55.52 -42.46 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.602 HG21 ' CH2' ' A' ' 28' ' ' TRP . 96.8 t -77.43 -53.67 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.64 -6.88 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.408 ' CB ' ' O ' ' A' ' 97' ' ' GLU . 48.8 t80 -94.62 -49.94 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.45 -38.12 65.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.626 ' OE1' ' CZ ' ' A' ' 50' ' ' PHE . 3.5 mt-30 -52.7 -15.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.91 -31.29 7.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -104.45 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -56.63 123.12 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 75' ' ' ILE . 8.4 mp -55.26 -17.27 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.47 -21.31 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.35 -33.99 70.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.35 -60.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.716 ' CE2' HD13 ' A' ' 86' ' ' ILE . 77.5 m-85 -99.53 92.4 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.44 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -46.29 -22.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.2 m -66.48 -52.26 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.12 91.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -85.94 39.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 68' ' ' TYR . 13.7 t -155.45 159.64 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -112.18 170.89 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mp -57.51 111.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.531 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 33.9 mm-40 -88.99 -47.58 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.7 m-85 -145.7 137.81 13.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.442 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.76 -168.09 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.1 -36.1 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -90.05 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.442 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.5 pt-20 -174.75 149.81 1.31 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -173.9 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -158.12 144.01 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -98.48 -59.17 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -42.93 137.31 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.414 ' C ' HG13 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -158.48 145.74 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 129' ' ' THR . 2.3 mt 58.27 51.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.8 m -79.51 -44.26 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -138.37 139.52 39.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 25.5 p -114.28 136.46 52.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.411 ' HA2' ' HD2' ' A' ' 135' ' ' PRO . . . 124.23 106.39 1.7 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.411 ' HD2' ' HA2' ' A' ' 134' ' ' GLY . 54.1 Cg_endo -69.73 -39.67 6.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.9 m -129.06 139.95 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.5 t -106.29 114.55 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.485 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.99 82.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -167.71 152.33 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.59 128.64 41.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.35 72.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.87 -31.9 25.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.495 ' O1P' ' NE ' ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -46.22 155.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -108.38 128.93 24.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.34 63.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.44 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.4 m-20 -70.56 109.08 4.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.517 ' CD ' ' N ' ' B' ' 13' ' ' GLU . 2.8 pp20? -79.41 -56.68 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' B' ' 12' ' ' GLU . 8.2 pt-20 -42.94 -51.15 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -93.86 118.96 32.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 p -165.25 153.45 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 110.866 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -160.66 176.42 11.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.85 149.37 21.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -137.49 161.28 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -121.16 113.54 20.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.61 178.51 48.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -133.72 41.79 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.05 105.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -101.15 114.6 28.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.52 141.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.91 41.02 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -159.09 156.71 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -124.82 141.13 52.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.428 ' CG ' ' N ' ' A' ' 16' ' ' TRP . 12.5 p-90 -117.25 -41.9 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.455 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -49.26 122.13 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.86 84.58 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.99 63.98 4.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 53.6 Cg_endo -69.79 119.92 6.78 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 19' ' ' PRO . 53.8 Cg_endo -69.75 178.52 4.49 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.631 2.221 . . . . 0.0 112.358 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -85.2 33.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' VAL . 62.3 m-20 -74.13 151.28 40.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.6 HD21 HD23 ' A' ' 95' ' ' LEU . 17.7 mt -44.95 -25.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -52.37 -46.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 22' ' ' ASP . 21.3 m -39.95 -36.49 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -74.17 155.5 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.1 mt -69.24 -1.34 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CE2' HG11 ' A' ' 99' ' ' VAL . 16.4 p-90 -139.0 125.99 21.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -150.88 147.3 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.97 109.5 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.35 -154.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.2 Cg_endo -69.68 6.55 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.6 ttp -34.41 152.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.37 175.25 8.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 7.4 tmm_? -54.47 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -46.44 -35.03 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.04 -30.5 77.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.832 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . . . -76.27 -66.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 17.9 mt-10 -41.64 -42.2 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 t -53.99 -44.67 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.51 -71.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.722 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -56.34 -13.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -82.66 -56.48 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -70.42 -32.32 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 7.1 mpt_? -74.08 176.15 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 m -56.58 163.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.76 120.62 21.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.11 6.06 24.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.2 m -66.61 157.86 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.793 ' CG ' HD22 ' A' ' 118' ' ' LEU . 17.0 p90 -152.4 171.58 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.526 HD11 HH21 ' A' ' 53' ' ' ARG . 1.8 pp -170.19 177.43 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.907 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -122.95 121.41 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.832 ' CZ ' ' HB2' ' A' ' 38' ' ' ALA . 3.3 ptp180 -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 50.4 tt0 -91.41 159.17 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 23.5 mtp180 -96.51 141.92 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.0 m -90.29 -37.77 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -45.47 -39.74 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -157.34 115.25 3.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.87 177.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 61' ' ' GLU . . . 60.68 48.6 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 40.6 mt-10 -163.67 122.94 2.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 23' ' ' LEU . 53.0 m-85 -113.7 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 75' ' ' ILE . . . -154.63 161.33 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 mt -128.71 108.25 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.0 m -101.44 125.68 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.529 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -132.16 145.7 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 66' ' ' ILE . 11.4 tptp -91.69 126.38 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -169.95 143.88 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.651 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.42 52.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 45.91 25.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -156.85 152.17 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 39' ' ' GLU . 88.3 t -97.32 123.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.506 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 62.5 mmtt -96.0 155.02 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.506 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.3 m-70 -142.61 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' A' ' 114' ' ' LEU . 48.2 mt -126.89 141.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -94.79 137.59 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 62' ' ' PHE . 49.9 mt -108.02 138.26 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.9 mtm -111.11 146.09 37.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 83' ' ' LEU . 70.7 p -141.7 139.97 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.5 -71.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.9 48.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.16 62.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 93' ' ' ARG . 14.7 mt -117.77 150.46 39.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 1.1 m-85 -121.89 124.93 45.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -159.0 129.9 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.02 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -88.89 -9.87 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.02 HG23 HD12 ' A' ' 86' ' ' ILE . 5.9 p -144.5 164.01 32.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -79.59 -35.73 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.4 -50.97 65.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 7.6 tmtm? -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.53 161.68 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 6.7 m-85 -130.94 171.98 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.535 ' HA ' HD23 ' A' ' 83' ' ' LEU . 22.6 mtt180 -94.96 -38.59 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.27 164.35 25.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.6 HD23 HD21 ' A' ' 23' ' ' LEU . 41.5 tp -58.77 -49.78 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 m -46.14 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -44.52 -52.79 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.6 tt -50.46 -28.93 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.617 HG11 ' CE2' ' A' ' 28' ' ' TRP . 55.7 t -87.58 -48.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.47 -5.25 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.414 ' CE1' ' OD1' ' A' ' 105' ' ' ASN . 89.3 t80 -94.91 -48.83 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.14 -39.05 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.42 -21.15 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -108.99 -28.2 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.414 ' OD1' ' CE1' ' A' ' 101' ' ' PHE . 6.3 m120 -110.96 112.1 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -55.28 141.41 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.729 ' CD2' HD13 ' A' ' 114' ' ' LEU . 10.1 mp -66.44 -12.76 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -67.37 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.94 -40.52 78.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.62 -42.24 6.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.616 ' HE1' HD13 ' A' ' 86' ' ' ILE . 6.3 m-85 -101.35 169.92 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 -17.26 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 t -86.0 -35.72 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 107' ' ' LEU . 8.9 mt -94.07 102.73 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.32 27.28 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -147.27 155.04 41.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.495 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -112.16 159.81 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.793 HD22 ' CG ' ' A' ' 50' ' ' PHE . 36.3 mt -39.6 105.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 43.5 mt-30 -85.52 -49.25 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 4.4 m-85 -145.2 133.89 10.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -164.03 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.73 -51.24 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 12.5 mmtt -56.68 -69.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -172.37 153.66 2.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 135.02 29.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -157.39 156.19 31.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.97 134.89 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -160.93 163.0 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.1 p -115.46 -52.99 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.5 mt -79.26 131.97 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 92.2 p -142.37 147.52 36.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -44.73 150.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.5 p -112.17 -48.9 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.07 81.43 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.47 6.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.0 t -58.0 97.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 138' ' ' GLY . 75.0 m -52.25 -43.78 64.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -109.63 131.21 55.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -91.63 171.52 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -99.26 -45.11 5.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.52 -126.7 1.04 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.1 -40.33 5.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -75.04 179.55 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 t -138.74 137.62 20.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.46 49.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -70.09 109.02 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -88.81 -50.55 6.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.17 -44.6 61.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -73.31 120.32 18.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -139.08 157.89 45.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -141.41 111.21 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.11 142.47 5.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -107.8 94.23 4.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -111.73 77.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.54 76.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HE3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -174.68 161.2 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.21 68.76 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -141.06 120.19 12.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.19 173.65 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -93.99 112.03 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -104.48 -59.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.523 ' HB2' ' CD1' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -137.48 169.96 16.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -94.89 -61.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CD1' ' HB2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -46.92 99.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -123.41 77.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.91 61.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.81 36.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.77 -165.56 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.6 tp-100 -36.5 98.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.701 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -134.19 159.36 41.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 HD23 ' A' ' 95' ' ' LEU . 40.1 mt -44.51 -22.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 22' ' ' ASP . 35.1 p -49.61 -41.36 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 22' ' ' ASP . 11.3 m -45.58 -28.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -80.7 149.7 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.642 HD22 ' OE2' ' A' ' 124' ' ' GLU . 14.8 mt -63.61 -8.57 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.693 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.9 p-90 -132.11 127.17 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -150.1 149.28 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.02 110.79 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.67 -156.11 0.13 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 8.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -34.59 152.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.21 175.63 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 18.5 tpp85 -53.22 -65.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -36.9 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.9 -34.35 89.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.738 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . . . -71.9 -66.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 24.7 mt-10 -41.54 -42.49 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -53.04 -42.39 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.467 HG22 HD13 ' A' ' 42' ' ' LEU . 90.2 mt -63.23 -72.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.719 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -56.48 -12.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -76.97 -63.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -64.5 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -179.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 m -65.57 169.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -79.02 120.92 24.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.19 9.49 23.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.433 HG22 HD12 ' A' ' 42' ' ' LEU . 10.0 m -69.35 157.16 37.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.616 ' CG ' HD22 ' A' ' 118' ' ' LEU . 20.8 p90 -151.44 174.02 13.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.2 pp -169.91 177.28 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.771 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.9 t -124.89 114.78 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.738 ' CZ ' ' HB2' ' A' ' 38' ' ' ALA . 2.6 ptp180 -121.0 142.44 49.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.486 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.4 tt0 -96.48 160.22 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' NE ' ' O2P' ' B' ' 7' ' ' PTR . 1.9 mmp_? -93.61 146.04 24.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -97.96 -31.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -39.0 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.73 105.48 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -47.06 173.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 59' ' ' ALA . . . 71.51 31.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -149.81 119.5 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 54' ' ' GLN . 32.2 m-85 -110.84 172.94 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.15 149.46 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.5 mt -118.04 111.41 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.62 127.13 49.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.478 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.66 142.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 10.0 tptm -85.03 127.87 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HB2' HG21 ' A' ' 116' ' ' THR . 2.9 t80 -167.18 141.91 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.719 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 64.18 50.81 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.92 25.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.474 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 4.0 mm-40 -154.61 146.99 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 39' ' ' GLU . 92.4 t -93.07 120.69 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 56.1 mmtt -94.77 160.95 14.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -146.24 136.2 23.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.538 HG12 ' CE2' ' A' ' 111' ' ' PHE . 38.6 mt -120.54 142.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -93.67 135.64 34.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.83 147.88 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtm -125.29 153.61 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.4 p -145.45 136.81 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.87 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -117.77 45.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.61 22.34 53.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -116.77 135.96 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 3.6 m-85 -107.68 126.1 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -162.3 132.38 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.494 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 5.6 pt -91.95 -18.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -136.85 161.24 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.55 -30.47 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -58.92 -55.02 40.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.2 tmtt? -110.18 140.01 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.481 ' N ' ' HD3' ' A' ' 90' ' ' LYS . . . -134.98 156.4 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 16.2 m-85 -128.81 174.59 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -25.95 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -143.36 128.91 3.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.459 HD23 HD21 ' A' ' 23' ' ' LEU . 22.6 tp -36.53 -49.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.912 0.386 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 62.3 m -47.59 -59.82 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -50.69 -44.7 57.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 98' ' ' LEU . 8.5 tt -55.15 -28.15 50.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.69 HG13 HD13 ' A' ' 118' ' ' LEU . 94.4 t -91.05 -50.96 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.05 -5.41 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.655 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 89.4 t80 -96.49 -50.53 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.61 ' CE1' HD23 ' A' ' 107' ' ' LEU . 2.5 m-85 -50.96 -39.88 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -49.16 -20.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -103.93 -32.03 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.655 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -110.93 111.91 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -49.81 133.65 21.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.61 HD23 ' CE1' ' A' ' 102' ' ' TYR . 12.7 mt -59.71 -20.74 58.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 13.5 pttt -55.6 -24.45 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -54.52 -29.82 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 77.8 m -113.53 -48.5 2.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.538 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.7 m-85 -102.55 94.42 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -23.95 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.3 p -69.11 -32.96 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.514 HD11 ' HD2' ' A' ' 73' ' ' LYS . 3.9 mp -101.77 101.36 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 10.6 t70 -92.0 29.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.418 HG21 ' HB2' ' A' ' 68' ' ' TYR . 14.8 t -142.34 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -136.83 172.02 13.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.69 HD13 HG13 ' A' ' 99' ' ' VAL . 36.2 mt -51.64 107.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.427 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 77.1 mt-30 -93.73 -47.18 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.5 m-85 -144.62 137.79 13.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.443 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.79 -166.61 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -76.25 -36.24 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -91.38 -64.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.642 ' OE2' HD22 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -175.42 147.0 0.94 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 156.92 62.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.727 2.285 . . . . 0.0 112.373 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -116.69 136.91 52.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -110.29 90.48 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -171.62 124.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.2 p -94.95 107.07 19.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.5 tt -160.7 138.6 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.7 t -154.26 135.87 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -95.26 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.0 p -52.99 125.14 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -130.32 175.87 19.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.12 8.54 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t -158.25 149.22 20.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.3 t -53.45 -60.59 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.516 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -100.22 89.7 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -157.11 117.76 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -142.59 116.82 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.33 57.53 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -113.44 -44.13 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.489 ' O2P' ' NE ' ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -44.56 148.33 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -108.49 141.05 22.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 175.11 8.53 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -79.41 120.29 23.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -95.05 -24.59 16.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -28.81 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 14' ' ' GLU . 3.3 pm0 -39.03 -35.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.8 m -108.75 42.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -156.78 172.28 18.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.49 171.09 16.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -121.36 146.6 46.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -138.77 120.71 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.59 -173.04 42.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -117.97 139.82 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.82 171.56 19.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.49 116.49 24.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.36 144.27 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.84 139.87 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -152.36 134.25 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -111.37 108.11 17.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -123.55 37.27 4.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.412 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -86.06 98.31 10.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' GLY . 14.3 mt-10 -115.21 78.0 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . 35.24 61.69 0.65 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 157.29 61.01 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -172.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.708 2.272 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -40.04 119.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -154.62 171.69 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD11 ' CE1' ' A' ' 62' ' ' PHE . 20.7 mt -45.48 -27.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.0 t -40.89 -44.05 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 26' ' ' HIS . 22.3 m -43.23 -45.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.53 ' N ' HG23 ' A' ' 25' ' ' VAL . 47.4 m80 -63.62 146.61 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.62 -8.82 3.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.799 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 13.7 p-90 -131.63 127.7 37.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -148.81 142.07 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.82 109.78 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.65 -145.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.75 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 ttp -31.78 120.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . 13.3 pt-20 -72.07 167.26 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.0 tmm_? -35.69 -69.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.16 47.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' HG2' ' A' ' 33' ' ' MET . . . -52.11 -32.75 36.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.759 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -86.86 -56.35 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.708 0.289 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 40.5 mt-10 -43.23 -44.14 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -55.25 -35.25 64.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.477 HG22 HD13 ' A' ' 42' ' ' LEU . 96.7 mt -70.79 -74.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.57 -16.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -69.76 -40.05 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -86.0 -40.37 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 9.0 mmm180 -60.27 168.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 t -58.96 164.32 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.39 112.66 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.16 2.58 10.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.534 HG22 HD12 ' A' ' 42' ' ' LEU . 25.0 m -64.44 156.11 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.688 ' CD2' HD22 ' A' ' 118' ' ' LEU . 17.7 p90 -152.28 174.44 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 65' ' ' SER . 1.6 pp -165.94 175.04 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.939 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -118.13 113.93 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.759 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 22.3 mtm105 -101.64 168.35 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 38.8 tt0 -135.52 158.81 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.6 tpp180 -93.92 127.89 39.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 p -76.48 -31.23 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -58.87 -40.95 85.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.1 128.39 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.37 40.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.07 41.88 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -169.93 173.35 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CE1' HD11 ' A' ' 23' ' ' LEU . 31.0 m-85 -155.1 177.93 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.55 162.0 41.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.85 104.7 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.509 ' HB3' HD11 ' A' ' 51' ' ' LEU . 21.3 t -96.27 140.91 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.511 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -149.61 143.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.3 tptm -89.69 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -166.71 140.86 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.691 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 63.53 51.58 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 69' ' ' ASN . 6.3 m 47.15 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -152.88 142.12 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.34 118.89 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -98.4 172.78 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.453 ' HB2' ' CD1' ' B' ' 7' ' ' PTR . 16.5 m-70 -142.73 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.512 HG12 ' CG ' ' B' ' 8' ' ' GLU . 10.6 mt -119.87 115.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -78.89 144.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.465 HD13 HD13 ' A' ' 95' ' ' LEU . 53.8 mt -114.92 137.43 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -105.27 157.51 17.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.4 p -151.64 128.96 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.46 -58.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -115.97 44.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.15 33.48 62.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -122.67 159.05 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -125.62 125.52 43.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -162.57 148.77 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.647 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -108.16 -16.05 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.647 HG23 HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -149.11 130.95 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -46.25 -24.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -61.56 -51.83 66.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.29 143.87 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.84 144.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 98' ' ' LEU . 1.7 m-85 -124.53 170.92 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -22.02 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.35 147.46 17.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.465 HD13 HD13 ' A' ' 77' ' ' ILE . 33.7 tp -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 37.8 m -48.04 -52.08 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.1 tt -49.78 -33.61 16.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 118' ' ' LEU . 60.0 t -87.97 -42.88 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.17 -6.81 36.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.538 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 74.1 t80 -96.73 -47.48 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -52.55 -39.16 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -51.91 -17.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -112.76 -12.62 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.538 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 11.7 m-80 -126.24 108.49 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -51.75 152.18 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 117' ' ' THR . 8.9 mp -85.53 -16.39 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -56.28 -17.92 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.32 -49.46 60.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 11' ' ' ASN . 24.8 m -94.45 -46.6 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 21.9 m-85 -91.72 133.33 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -81.53 -43.48 18.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.2 t -65.35 -46.91 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.6 110.77 15.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -109.02 33.47 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 107' ' ' LEU . 14.7 t -153.59 174.76 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.813 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -129.57 166.07 20.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.706 ' CD1' HG13 ' A' ' 99' ' ' VAL . 24.1 mt -46.64 108.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.444 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -89.65 -51.14 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.81 135.22 13.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.81 -169.02 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -72.42 -32.7 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -93.43 -65.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 3.3 pt-20 -172.74 150.53 2.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.6 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -133.13 165.69 24.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 128' ' ' ARG . 14.4 ptpt -112.74 -51.18 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 11.1 ttt180 -57.91 -70.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 129' ' ' THR . 3.7 m 72.02 28.9 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 22.4 mm -133.44 134.43 56.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -161.49 136.41 7.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -118.85 83.31 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 m -154.79 171.44 19.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 135' ' ' PRO . . . -104.8 92.17 0.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 134' ' ' GLY . 53.5 Cg_endo -69.77 -23.09 31.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.379 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.5 t -49.44 126.78 13.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 92.2 p -144.36 127.2 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.46 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -161.3 150.63 16.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.48 108.01 15.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.9 28.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 42.43 74.22 0.19 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.76 -34.78 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.453 ' CD1' ' HB2' ' A' ' 74' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.512 ' CG ' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -39.74 160.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -137.54 135.99 19.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.633 0.73 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.55 24.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 110' ' ' CYS . 11.6 m-80 -81.58 113.14 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -92.28 -45.98 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 0.9 OUTLIER -56.46 -30.52 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -103.6 118.51 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -64.4 161.28 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -111.5 -46.55 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.03 -163.2 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -134.59 165.33 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -42.22 139.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.06 160.28 14.78 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -115.2 158.58 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.53 107.87 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -87.74 129.51 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.83 165.0 26.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -131.32 172.51 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -139.4 156.58 46.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.17 95.95 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -127.17 36.29 4.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.405 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 6.9 p90 -105.38 119.47 39.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' C ' ' HD3' ' A' ' 19' ' ' PRO . 1.8 mm-40 -155.92 106.23 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.21 66.24 0.24 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD3' ' C ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.75 169.27 19.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -3.47 12.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 0.0 112.404 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -60.88 -175.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -34.91 142.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 87.8 mt -53.51 -24.35 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -55.09 -35.45 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 22' ' ' ASP . 19.5 m -59.2 -29.91 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -74.56 144.51 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.88 -10.9 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.831 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 27.9 p-90 -130.24 127.02 38.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -149.81 142.43 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.956 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.57 110.24 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 32' ' ' PRO . . . -71.61 -143.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.1 Cg_endo -69.71 5.65 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.657 2.238 . . . . 0.0 112.382 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 41' ' ' ILE . 31.0 ttm -30.7 142.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -83.75 162.36 20.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 13.9 tpt180 -42.84 -57.14 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.72 -41.64 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -60.42 -37.93 93.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.581 ' HB2' ' HD2' ' A' ' 53' ' ' ARG . . . -71.09 -52.77 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.069 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.645 ' HA ' HG11 ' A' ' 72' ' ' VAL . 35.5 mt-10 -58.54 -48.48 80.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -57.07 -39.46 75.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.576 HD12 ' SD ' ' A' ' 33' ' ' MET . 15.2 mt -63.88 -62.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.501 HD22 ' C ' ' A' ' 49' ' ' THR . 3.3 mt -69.85 1.5 4.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -82.97 -41.85 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -75.83 -38.95 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.484 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.8 mmm180 -60.65 -173.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.5 m -83.83 147.29 27.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.64 100.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.91 -7.24 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.501 ' C ' HD22 ' A' ' 42' ' ' LEU . 20.1 m -65.79 146.48 54.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.598 ' CE2' HD13 ' A' ' 118' ' ' LEU . 26.5 p90 -138.37 -179.93 6.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 65' ' ' SER . 1.3 pp -170.57 177.18 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.956 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.48 114.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.581 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 46.1 mtp180 -106.53 160.29 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -120.63 159.12 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -94.87 150.56 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -87.74 -41.61 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -45.45 -41.23 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.35 135.1 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.14 40.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.91 30.41 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -149.68 170.14 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 31.3 m-85 -151.39 177.52 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.83 149.5 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.782 HG13 HD11 ' A' ' 77' ' ' ILE . 42.1 mt -120.46 98.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.487 ' HB3' HD11 ' A' ' 51' ' ' LEU . 12.5 t -97.66 132.87 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.504 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -138.38 142.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 66' ' ' ILE . 7.9 tptp -87.8 120.23 28.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 2.6 t80 -164.16 137.87 5.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.3 t-20 73.46 54.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 69' ' ' ASN . 4.9 m 43.21 26.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -157.77 143.55 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' HA ' ' A' ' 39' ' ' GLU . 97.6 t -92.54 116.84 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.557 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 31.7 mmtt -95.01 161.56 14.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.581 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -146.02 146.19 30.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.422 ' N ' ' HD1' ' B' ' 7' ' ' PTR . 17.5 mt -135.11 140.32 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -85.21 152.45 23.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.782 HD11 HG13 ' A' ' 64' ' ' ILE . 82.4 mt -123.26 124.43 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 49.0 mtm -91.14 168.72 11.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -142.46 135.58 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -135.55 112.25 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 46.18 46.84 13.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.97 24.84 51.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.638 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 22.2 mt -106.93 -179.47 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 16.5 m-85 -153.91 125.78 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.21 130.46 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.66 HG22 HG12 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -84.68 -16.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 p -150.58 133.35 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -48.93 -24.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -57.52 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -117.47 147.33 42.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.567 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -131.2 164.24 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.799 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.6 m-85 -146.34 173.74 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -91.51 -40.23 11.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.563 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -141.83 161.19 27.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.504 HD21 HG11 ' A' ' 52' ' ' VAL . 46.6 tp -54.47 -43.0 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.5 m -59.26 -62.3 1.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -41.74 -42.42 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.799 HD12 ' CD1' ' A' ' 92' ' ' PHE . 10.6 tt -67.78 -32.51 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 28' ' ' TRP . 15.3 t -78.82 -56.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.74 -6.09 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.666 ' CD2' ' ND2' ' A' ' 105' ' ' ASN . 82.4 t80 -94.4 -46.16 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.3 m-85 -56.24 -35.51 67.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 99' ' ' VAL . 60.5 mt-30 -50.59 -17.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.09 -36.55 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.666 ' ND2' ' CD2' ' A' ' 101' ' ' PHE . 0.4 OUTLIER -104.79 112.83 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -47.25 135.91 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 102' ' ' TYR . 37.2 mt -56.81 -20.31 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -58.05 -23.44 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.37 -35.9 52.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.2 m -112.31 -60.67 1.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -93.4 105.58 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -50.91 -48.02 60.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.9 p -42.75 -55.24 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' B' ' 8' ' ' GLU . 4.5 mm? -75.89 97.08 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 54.1 m-20 -92.35 23.49 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -146.22 164.48 32.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 163.03 16.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.598 HD13 ' CE2' ' A' ' 50' ' ' PHE . 18.6 mt -42.01 107.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.437 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 29.2 mm-40 -86.62 -51.12 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 6.0 m-85 -143.78 140.44 17.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.1 Cg_endo -69.78 174.24 9.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.36 -52.23 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -66.84 -72.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.414 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 7.3 pt-20 -175.69 140.53 0.59 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 114.76 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.403 ' CD ' ' HG3' ' A' ' 124' ' ' GLU . 2.2 mm-40 -124.22 16.31 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 56.03 46.75 21.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.466 ' HE ' ' N ' ' A' ' 129' ' ' THR . 0.0 OUTLIER -90.94 99.91 12.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.466 ' N ' ' HE ' ' A' ' 128' ' ' ARG . 17.2 m -145.05 138.12 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.1 tp -163.04 134.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 43.5 m -109.92 101.26 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 131' ' ' SER . 15.7 mtp-105 -160.95 132.36 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 m -59.83 -60.01 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.95 -176.89 2.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 124.95 11.56 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.395 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.1 p -114.3 125.53 53.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 t -48.61 -46.42 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.459 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -88.37 124.11 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.01 152.01 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -112.58 110.38 20.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.32 -88.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -117.94 -45.3 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.422 ' HD1' ' N ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.449 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.0 mm-40 -53.61 158.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -101.81 132.72 21.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 159.37 53.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -56.14 140.94 42.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -96.61 -37.64 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' B' ' 14' ' ' GLU . 40.4 mm-40 -42.98 -39.67 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' B' ' 13' ' ' GLU . 7.7 pt-20 -35.64 141.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -160.56 146.44 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -158.88 126.27 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.6 -68.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -118.07 120.58 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.35 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -144.19 169.38 17.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.44 119.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.27 -46.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.71 41.12 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 36.2 mp0 -130.45 144.38 51.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . 69.27 40.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.2 pp20? -93.84 42.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.46 159.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.1 p30 -125.58 14.6 8.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -77.89 54.15 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -109.31 -175.02 2.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.97 -30.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.71 146.87 5.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 162.61 41.4 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.398 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.1 Cg_endo -69.75 167.46 24.35 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' PRO . 19.8 tt0 -36.66 138.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' HG22 ' A' ' 25' ' ' VAL . 15.0 m-20 -113.55 105.8 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 95' ' ' LEU . 42.0 mt -48.74 -23.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.6 t -48.4 -41.33 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 26' ' ' HIS . 33.9 m -47.09 -44.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.494 ' N ' HG23 ' A' ' 25' ' ' VAL . 96.5 m-70 -66.5 153.08 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 10.8 mt -66.46 -6.97 16.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.9 p-90 -132.01 126.04 32.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -150.34 136.89 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.962 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.83 109.97 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.17 -148.47 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.74 6.18 1.4 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 13.6 ttp -30.33 144.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.28 160.45 30.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -44.36 -61.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.38 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -65.68 -30.39 77.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.574 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -86.85 -65.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HA ' HG11 ' A' ' 72' ' ' VAL . 42.9 mt-10 -37.19 -47.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -54.4 -42.21 70.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 HD13 ' A' ' 42' ' ' LEU . 97.3 mt -59.85 -71.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.706 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -55.41 -16.19 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -79.8 -58.87 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.2 -32.0 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.48 175.89 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -59.4 159.55 7.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.33 116.28 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.25 5.75 12.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 50' ' ' PHE . 19.5 m -66.98 160.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.745 ' CE2' HD13 ' A' ' 118' ' ' LEU . 14.9 p90 -157.84 167.25 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 pp -163.62 177.11 9.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.962 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.2 t -118.88 115.92 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 10.8 mtm180 -103.3 169.96 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -134.54 148.98 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -94.23 159.64 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.56 -7.06 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -75.62 -52.11 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.9 m-20 -134.57 109.13 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.84 -58.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 74.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -169.11 134.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 23' ' ' LEU . 62.6 m-85 -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.13 156.79 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.923 HG13 HD11 ' A' ' 77' ' ' ILE . 40.5 mt -122.22 105.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -101.36 122.37 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.444 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.22 141.57 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.486 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 12.2 tptm -84.28 129.49 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -170.14 136.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.674 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 70.96 51.64 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.56 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 30.0 mm-40 -156.63 147.64 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 39' ' ' GLU . 45.5 t -89.27 121.32 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.432 ' C ' ' ND1' ' A' ' 74' ' ' HIS . 34.2 mmtt -95.23 163.65 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.432 ' ND1' ' C ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -147.52 142.78 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.468 HG12 ' CE2' ' A' ' 111' ' ' PHE . 44.7 mt -126.47 146.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HB2' ' CD1' ' B' ' 7' ' ' PTR . 11.4 tptm -90.66 138.53 31.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.923 HD11 HG13 ' A' ' 64' ' ' ILE . 66.5 mt -119.94 108.08 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -85.05 162.29 19.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.9 p -136.5 133.64 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -124.86 113.31 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 44.03 48.04 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.11 52.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.538 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.596 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 18.1 mt -107.37 -179.41 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 7.8 m-85 -150.58 120.89 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -158.74 139.7 12.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 6.8 pt -95.37 -19.15 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 p -130.86 162.94 28.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.44 -31.05 57.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -73.87 -49.31 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.5 tppt? -93.71 149.57 21.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.73 157.5 38.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.076 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.467 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -135.77 173.36 11.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -93.9 -40.5 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.04 159.1 24.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 19.9 tp -59.06 -39.22 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.7 m -53.75 -68.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -43.93 -48.83 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.2 tt -48.22 -37.51 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.721 HG13 ' CD1' ' A' ' 118' ' ' LEU . 65.7 t -85.31 -49.9 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.37 -5.55 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.589 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 54.7 t80 -95.45 -46.8 6.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.683 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.9 m-85 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -40.78 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' TYR . 1.9 mp0 -104.1 -28.55 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.589 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 9.0 m-80 -108.95 112.36 24.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.4 t -51.95 131.12 30.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.683 HD23 ' CE1' ' A' ' 102' ' ' TYR . 36.3 mt -56.05 -16.94 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.418 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 10.0 pttp -61.78 -24.82 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.32 -44.78 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.88 -61.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 75' ' ' ILE . 34.8 m-85 -87.49 160.75 18.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -95.27 -45.94 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -56.97 -54.12 50.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 73' ' ' LYS . 4.2 mm? -68.55 91.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.418 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 24.3 t70 -95.84 25.64 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 t -147.56 160.22 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.57 166.41 11.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 50' ' ' PHE . 24.5 mt -45.47 107.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 28.6 mm-40 -87.15 -55.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.511 ' CD1' ' HB3' ' A' ' 125' ' ' PRO . 2.7 m-85 -140.16 131.25 14.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.662 0.744 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.96 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.416 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 1.9 t80 -81.02 -45.72 16.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.71 -67.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.97 155.43 2.39 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 54.1 Cg_endo -69.75 179.67 3.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.278 . . . . 0.0 112.372 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -127.6 128.21 45.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -130.8 -52.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.81 ' O ' HG22 ' A' ' 130' ' ' ILE . 34.3 ttt-85 -84.48 -69.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.5 p -43.69 97.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.929 HD13 ' N ' ' A' ' 131' ' ' SER . 0.0 OUTLIER -164.88 134.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.929 ' N ' HD13 ' A' ' 130' ' ' ILE . 69.3 p -160.99 147.39 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -71.21 -56.15 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 40.1 t -113.79 93.11 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -90.02 -103.09 1.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 136' ' ' SER . 53.9 Cg_endo -69.73 1.19 4.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' PRO . 15.8 t -33.79 -48.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 39.8 p -107.8 132.22 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.516 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.29 -23.75 26.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.14 134.12 56.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -98.18 -48.04 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.96 63.09 2.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -59.02 -41.06 86.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 110.824 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 76' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -58.44 137.12 57.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -89.85 141.74 28.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 155.02 66.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -71.48 112.87 7.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -91.89 -36.47 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 5.0 mp0 -50.16 -49.16 53.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.96 135.6 54.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m -141.57 171.04 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -139.81 176.83 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.98 -155.41 27.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -145.42 159.03 43.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -157.52 124.05 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.91 145.98 6.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HE3' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -82.8 171.77 13.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.94 98.63 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -168.02 132.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.08 84.48 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -134.84 175.56 9.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -38.72 125.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -124.16 151.33 44.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.9 p90 -52.04 -43.17 63.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -74.07 177.82 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -132.06 40.13 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.65 83.23 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 167.74 23.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.7 Cg_endo -69.78 -173.48 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.314 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' PRO . 16.7 tt0 -36.28 147.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' SER . 70.7 m-20 -125.96 101.28 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 17.2 mt -39.86 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 15.5 m -45.58 -43.79 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 26' ' ' HIS . 25.6 m -42.32 -44.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.458 ' N ' HG23 ' A' ' 25' ' ' VAL . 61.4 m80 -62.96 157.09 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 15.5 mt -71.6 1.54 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.493 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 8.7 p-90 -142.65 126.02 16.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -150.45 148.32 28.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.895 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.71 109.86 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.29 -148.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.3 Cg_endo -69.84 3.74 2.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.0 ttm -33.06 146.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . 8.8 pt-20 -99.18 165.06 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLU . 5.9 tmm_? -34.17 -69.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -44.82 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.55 53.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 -46.65 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' ALA . 22.7 mt-10 -42.64 -54.79 3.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 11.8 t -47.71 -49.63 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mt -52.67 -49.24 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.11 -6.54 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -85.19 -50.66 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -74.07 -39.26 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -178.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -64.78 162.08 16.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 116.84 16.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.06 4.69 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 50' ' ' PHE . 13.7 m -64.75 161.31 18.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 18.2 p90 -153.26 169.71 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -169.96 176.91 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.895 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -123.8 121.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -122.52 150.11 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.485 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 9.9 tt0 -101.62 158.53 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.8 mtp180 -95.24 168.12 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.1 t -100.05 -50.67 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -43.7 -43.01 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -132.73 124.03 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.89 -63.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.46 78.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -169.14 123.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 47.0 m-85 -117.44 169.22 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.91 135.13 12.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.534 HG13 HD11 ' A' ' 77' ' ' ILE . 32.2 mt -99.52 124.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t -115.13 117.6 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.485 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -126.95 139.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -87.48 127.4 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -165.46 147.06 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.9 t-20 62.94 50.65 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.95 25.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.4 145.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.439 HG11 ' HG2' ' A' ' 39' ' ' GLU . 60.2 t -92.58 118.87 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' CB ' HD21 ' A' ' 114' ' ' LEU . 20.6 mmtp -96.9 168.83 10.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -149.56 140.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.443 ' CA ' ' HD2' ' B' ' 7' ' ' PTR . 5.2 mp -122.61 131.9 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -87.18 134.26 33.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.534 HD11 HG13 ' A' ' 64' ' ' ILE . 35.5 mt -110.27 142.16 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.4 mtm -113.87 154.12 28.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.1 p -143.69 112.12 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.129 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.49 -72.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -112.25 51.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.24 24.84 70.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 92' ' ' PHE . 48.8 mt -115.86 162.31 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 1.2 m-85 -131.39 128.93 40.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -162.31 137.53 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.555 HD13 ' OH ' ' A' ' 102' ' ' TYR . 4.9 pt -87.98 -24.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' B' ' 10' ' ' PRO . 7.3 p -146.2 135.81 23.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.97 -23.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -59.26 -52.4 65.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.59 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 4.4 tmtt? -117.86 137.22 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -130.6 152.78 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CE1' ' HD2' ' A' ' 90' ' ' LYS . 2.2 m-85 -125.71 172.04 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -90.17 -46.26 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.432 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.28 155.99 24.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 21.7 tp -50.51 -47.33 57.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.9 m -45.49 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.06 -42.04 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.502 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 6.4 tt -54.58 -42.52 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 28' ' ' TRP . 59.5 t -77.52 -45.11 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.29 -5.64 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.614 ' CZ ' ' CG ' ' A' ' 105' ' ' ASN . 67.4 t80 -97.28 -49.67 4.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.555 ' OH ' HD13 ' A' ' 86' ' ' ILE . 2.3 m-85 -49.33 -47.8 46.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.08 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.9 mp0 -104.8 -32.93 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.614 ' CG ' ' CZ ' ' A' ' 101' ' ' PHE . 1.6 m-80 -104.94 113.75 27.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.414 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 92.4 p -54.34 143.62 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.574 HD13 ' HA ' ' A' ' 117' ' ' THR . 10.9 mp -72.44 -16.49 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -61.56 -26.57 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.05 -51.28 24.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.48 -32.69 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.1 m-85 -110.0 77.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -33.68 -46.4 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -48.59 -55.42 11.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.503 ' CD2' ' CD ' ' B' ' 8' ' ' GLU . 3.5 mm? -72.58 92.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 5.2 t70 -89.81 44.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -168.45 174.44 6.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.574 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -127.6 174.12 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HG ' ' CG ' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -57.24 104.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.464 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 21.5 mm-40 -85.46 -48.7 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.3 m-85 -143.04 130.47 10.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.427 ' CA ' ' CE1' ' A' ' 50' ' ' PHE . 53.5 Cg_endo -69.75 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -79.71 -44.16 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 4.5 mmpt? -72.85 -70.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -173.01 149.4 1.78 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.61 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -157.23 143.41 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -107.12 153.04 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -167.13 149.27 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 t -124.57 -15.16 6.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.4 mt -72.47 126.59 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.6 m -99.94 113.4 25.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -123.08 133.56 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.4 p -72.07 -54.75 8.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 125.01 166.6 12.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 161.65 45.1 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.1 p -118.26 155.78 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.9 t -175.07 176.66 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.453 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -74.54 151.54 39.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -107.64 147.43 30.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -128.36 116.22 19.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.78 90.4 0.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.42 -35.92 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.443 ' HD2' ' CA ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.503 ' CD ' ' CD2' ' A' ' 114' ' ' LEU . 44.5 mt-10 -67.14 133.85 50.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.9 p -102.4 147.27 33.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.482 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.9 Cg_endo -69.7 148.09 64.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -66.22 126.5 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -94.4 -39.78 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' B' ' 14' ' ' GLU . 15.5 pt-20 -78.59 -48.81 14.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' B' ' 13' ' ' GLU . 2.8 tm-20 46.79 44.28 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -112.05 102.55 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -124.43 143.94 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.5 56.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -121.69 115.38 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -68.89 -58.38 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.26 105.06 2.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -138.96 170.59 15.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.88 151.83 43.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -134.99 130.6 35.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.2 121.3 43.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -101.0 175.82 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -138.29 158.0 45.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -93.97 45.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.576 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 3.5 t-105 -97.34 89.96 4.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -125.21 100.67 6.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' GLY . 10.1 mt-10 -119.89 43.63 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . 35.38 79.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.17 34.88 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.35 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.52 2.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -38.5 127.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 25' ' ' VAL . 65.7 m-20 -149.96 160.84 43.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 ' CE1' ' A' ' 62' ' ' PHE . 15.4 mt -54.37 -26.87 32.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' VAL . 16.2 p -44.33 -48.34 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 22' ' ' ASP . 7.5 m -37.33 -36.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -73.75 146.33 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.48 HD22 ' OE2' ' A' ' 124' ' ' GLU . 9.4 mt -60.64 -9.49 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.909 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 24.1 p-90 -131.82 128.46 38.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -148.17 141.63 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.925 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -152.75 110.34 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.87 -152.51 1.38 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.72 5.0 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.2 ttp -30.57 140.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.67 156.1 38.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.634 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 16.7 tpp85 -41.13 -60.84 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -38.71 51.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.463 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -51.87 -35.07 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.434 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -79.21 -58.26 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.696 ' HA ' HG21 ' A' ' 72' ' ' VAL . 30.0 mt-10 -35.78 -57.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -50.47 -47.8 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 42' ' ' LEU . 20.8 mt -56.97 -64.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD21 ' HG ' ' A' ' 51' ' ' LEU . 5.6 mt -66.74 -7.9 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -95.4 -30.67 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -88.73 -36.49 16.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -59.14 -75.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -175.57 179.16 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -85.24 101.2 12.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.52 -4.69 5.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 m -65.01 154.87 36.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.6 ' CG ' HD22 ' A' ' 118' ' ' LEU . 28.0 p90 -148.14 175.63 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 42' ' ' LEU . 1.1 pp -169.56 177.12 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.925 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.4 t -119.33 112.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 53' ' ' ARG . 20.7 mtm105 -99.88 167.2 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.1 tt0 -123.62 158.26 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.9 tpp180 -93.85 156.64 16.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 94.7 t -95.66 -37.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -51.1 -58.38 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.8 123.43 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . -45.53 -49.6 13.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 59' ' ' ALA . 7.1 mt-10 -169.18 161.51 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.645 ' CE1' HD11 ' A' ' 23' ' ' LEU . 44.7 m-85 -159.01 175.57 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -154.66 161.7 41.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mt -128.14 100.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.477 ' HB3' HD11 ' A' ' 51' ' ' LEU . 11.3 t -96.57 129.19 44.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.481 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.64 142.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.9 tptm -89.27 121.64 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -163.85 139.51 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.2 t-20 67.46 54.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.06 25.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ASN . 29.3 mm-40 -151.14 132.77 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.696 HG21 ' HA ' ' A' ' 39' ' ' GLU . 93.7 t -86.24 114.4 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt -94.89 170.86 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.634 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 1.2 m80 -151.35 143.92 24.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.3 mp -125.63 129.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.2 ttpm? -81.61 150.08 28.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.437 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 89.8 mt -121.08 135.89 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtm -106.05 154.14 21.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 83' ' ' LEU . 54.6 p -147.54 150.92 35.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.76 -73.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.93 12.63 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.15 11.78 4.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.0 mm? -93.32 168.09 11.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 5.0 m-85 -139.37 120.82 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -159.3 137.49 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.655 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 28.7 pt -86.58 -25.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.2 p -137.49 167.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -72.21 -35.58 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -62.47 -55.59 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 12.0 tppt? -88.34 151.84 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.505 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -156.67 160.4 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 5.3 m-85 -145.55 171.57 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -20.99 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.7 141.83 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 23' ' ' LEU . 48.4 tp -52.81 -43.81 66.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.2 m -50.69 -50.11 55.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.11 -44.87 90.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.8 tt -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 118' ' ' LEU . 97.4 t -92.83 -46.91 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.419 ' HA ' ' NE2' ' A' ' 103' ' ' GLN . 3.9 mm-40 -65.87 -5.38 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -98.58 -47.2 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.538 ' HA ' ' ND2' ' A' ' 105' ' ' ASN . 4.8 m-85 -51.93 -31.97 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 100' ' ' GLU . 23.3 mt-30 -54.52 -21.38 9.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -34.98 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.538 ' ND2' ' HA ' ' A' ' 102' ' ' TYR . 0.5 OUTLIER -104.77 113.8 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -55.52 131.73 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.83 -15.07 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 5.5 ptmt -60.0 -16.94 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -63.34 -34.92 78.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' CYS . . . . . 0.433 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 56.4 m -109.62 -50.28 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.655 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.72 97.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -51.8 -26.63 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 5.1 t -68.8 -49.03 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.18 104.87 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 57.2 m-20 -98.03 21.59 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.5 t -141.23 160.98 38.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -118.69 170.49 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.777 ' CD1' HG13 ' A' ' 99' ' ' VAL . 34.5 mt -47.6 108.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.575 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.5 mt-30 -90.59 -48.33 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.6 m-85 -145.44 138.65 14.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.44 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.76 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -70.76 -41.64 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 22.8 mttp -81.75 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.48 ' OE2' HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -175.16 150.68 1.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.696 0.76 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.77 61.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.748 2.298 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 128' ' ' ARG . 13.8 tt0 -100.54 68.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 126' ' ' GLU . 13.7 ptmt 32.22 36.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 126' ' ' GLU . 3.9 mmm180 -105.59 96.79 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.8 m -155.96 130.26 8.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.3 tt -174.77 148.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 t -121.65 130.92 53.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -123.73 147.8 47.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.8 t -123.06 136.44 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 157.17 -159.86 30.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 165.43 30.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.0 p -174.72 170.74 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.5 t -149.66 163.22 38.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.444 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -112.09 -60.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -107.39 159.75 16.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.53 -35.75 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.1 -112.49 0.4 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ASP . . . . . 0.458 ' HB3' ' HN2' ' B' ' 7' ' ' PTR . 0.7 OUTLIER -130.84 -171.23 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.458 ' HN2' ' HB3' ' B' ' 6' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -71.17 157.13 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.3 p -115.22 142.05 28.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 17.2 m-80 -58.3 114.4 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -96.21 -43.17 7.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.28 -46.49 33.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -59.05 -61.01 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.4 p 44.37 42.18 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -66.47 94.99 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.06 110.48 1.45 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p 41.99 42.7 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 m -67.39 175.29 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.65 -82.57 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? 61.75 39.81 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.82 136.82 51.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -129.68 42.3 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.5 114.15 26.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.33 172.64 16.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -114.37 84.7 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -115.31 80.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 42.1 p-90 -123.36 74.8 1.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -127.26 -32.9 2.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 18' ' ' GLY . 7.2 pt-20 -89.19 88.09 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -33.86 103.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 170.05 17.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -175.25 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -46.42 159.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -91.08 98.11 11.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 19.1 mt -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' ASP . 65.2 p -43.62 -40.49 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 26' ' ' HIS . 24.5 m -47.2 -43.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' N ' HG23 ' A' ' 25' ' ' VAL . 54.1 m80 -62.74 156.67 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 126' ' ' GLU . 8.9 mt -72.85 0.52 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.674 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 14.6 p-90 -141.36 126.61 18.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -149.6 151.28 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.46 111.04 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.9 -150.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.8 3.38 2.82 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.242 . . . . 0.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.493 ' CE ' HD12 ' A' ' 41' ' ' ILE . 4.0 ttp -33.26 140.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 15.2 pt-20 -89.2 167.7 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' GLU . 4.5 tmm_? -36.12 -68.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.57 -48.92 57.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.19 -31.24 6.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -84.27 -52.54 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.545 ' HA ' HG11 ' A' ' 72' ' ' VAL . 28.1 mt-10 -37.69 -55.3 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -47.45 -46.72 26.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.493 HD12 ' CE ' ' A' ' 33' ' ' MET . 25.6 mt -58.6 -58.98 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 2.8 mt -74.54 -4.55 37.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -83.68 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -63.05 -44.07 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -56.33 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -68.33 141.16 55.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.16 106.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 132.37 1.85 4.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.1 m -64.63 165.08 10.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' N ' HG22 ' A' ' 49' ' ' THR . 21.7 p90 -155.44 170.88 20.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -169.84 175.66 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.683 HG11 HD21 ' A' ' 95' ' ' LEU . 2.6 t -123.2 106.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 5.9 ptt-85 -111.68 152.57 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 44.4 tt0 -97.6 160.43 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.465 HH21 ' CE1' ' B' ' 7' ' ' PTR . 4.0 mtt-85 -93.58 168.11 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.0 m -105.57 -16.32 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.23 -43.81 49.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -133.73 116.28 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.28 -61.05 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.2 74.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.08 124.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 45.7 m-85 -110.6 172.41 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.3 145.5 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 98' ' ' LEU . 17.5 mt -109.76 123.23 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.483 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 6.4 t -117.8 117.92 30.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -128.64 137.84 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 14.1 tptm -85.58 137.94 32.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.518 ' CD2' HD23 ' A' ' 114' ' ' LEU . 3.6 t80 -175.38 138.9 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.698 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.19 49.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.51 26.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -151.28 135.53 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' ' 39' ' ' GLU . 46.6 t -92.09 118.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 51.0 mmtt -98.45 172.21 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.483 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 3.6 m-70 -150.95 146.41 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.557 HD11 HD23 ' A' ' 107' ' ' LEU . 87.0 mt -122.19 127.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 119.56 26.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 62' ' ' PHE . 35.9 mt -93.5 147.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.6 mtm -116.82 149.41 40.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.0 p -145.01 126.45 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.45 -72.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -107.48 49.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.13 29.34 66.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 93' ' ' ARG . 13.6 mt -121.25 147.48 45.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -121.02 126.99 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -161.66 146.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.017 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -106.48 -12.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 1.017 HG23 HD12 ' A' ' 86' ' ' ILE . 3.0 p -144.18 168.0 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.12 -26.31 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.88 -54.17 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -93.72 142.69 27.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.1 140.56 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.7 m-85 -123.23 172.0 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.403 ' HA ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -108.82 -24.57 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.1 139.78 9.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.683 HD21 HG11 ' A' ' 52' ' ' VAL . 18.7 tp -50.18 -39.29 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.8 m -52.89 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.94 -46.84 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.42 HD22 HD11 ' A' ' 64' ' ' ILE . 6.7 tt -49.31 -40.81 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.603 HG13 HD23 ' A' ' 118' ' ' LEU . 95.8 t -80.44 -51.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.56 -6.98 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.506 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 50.6 t80 -94.78 -50.26 5.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 104' ' ' GLN . 1.4 m-85 -50.51 -46.4 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -44.99 -21.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 102' ' ' TYR . 5.9 mt-30 -104.16 -34.79 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.88 112.89 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.401 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 4.8 t -50.29 141.49 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' ' 117' ' ' THR . 10.4 mp -68.87 -17.28 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 20.3 pttt -60.89 -21.93 63.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.81 -48.24 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.12 -41.05 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.907 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 10.8 m-85 -112.02 86.78 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.484 ' HZ2' ' H ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -47.04 -22.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -63.1 -49.18 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.615 HD12 ' HG3' ' B' ' 8' ' ' GLU . 2.6 mt -88.64 118.65 28.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 10.6 t70 -104.29 32.76 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -148.65 157.11 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.839 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.81 173.91 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.603 HD23 HG13 ' A' ' 99' ' ' VAL . 1.6 mp -54.29 103.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -84.81 -48.66 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.81 136.17 13.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.471 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.0 Cg_endo -69.79 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 2.0 t80 -82.47 -34.84 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 18.2 mtpt -91.03 -67.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 31.3 mt-10 -163.33 144.73 7.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo -69.68 145.03 56.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.488 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 26.7 tp10 -120.49 149.93 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -98.28 140.74 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.69 105.25 15.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.3 t -116.76 -13.95 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 tp -109.16 137.45 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 83.5 p -115.0 110.38 19.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -162.67 148.41 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.0 t -142.06 123.96 15.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -123.45 70.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.09 32.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.9 p -159.13 167.98 27.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.5 t -100.53 162.18 13.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.507 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -122.7 158.59 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -127.39 152.79 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.37 -60.21 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.36 58.94 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.55 -40.43 91.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' PTR . . . . . 0.465 ' CE1' HH21 ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.615 ' HG3' HD12 ' A' ' 114' ' ' LEU . 5.6 mm-40 -63.38 143.37 57.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -111.19 138.8 21.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.5 53.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 112' ' ' LYS . 5.1 m-80 -57.51 111.12 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -97.72 -49.13 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.1 -45.48 52.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -58.59 125.93 25.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -169.74 177.6 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -164.51 171.68 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.95 -175.33 39.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -158.53 174.81 14.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -142.01 164.2 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.57 117.54 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -159.21 144.22 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.06 148.95 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -137.66 164.6 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.02 149.08 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -153.96 170.87 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -148.17 168.8 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.478 HD21 ' HZ2' ' A' ' 16' ' ' TRP . 5.4 m120 -122.16 121.44 36.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.464 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 15.9 p-90 -115.52 36.32 4.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.478 ' HZ2' HD21 ' A' ' 14' ' ' ASN . 3.0 p90 -126.08 -40.28 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -59.28 91.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.71 80.24 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.97 55.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.382 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -174.96 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.24 147.02 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' HG22 ' A' ' 25' ' ' VAL . 6.7 m-20 -135.72 163.87 29.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.424 HD21 HD23 ' A' ' 95' ' ' LEU . 15.2 mt -53.18 -21.66 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -48.75 -33.24 9.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 22' ' ' ASP . 27.4 m -52.43 -35.05 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -74.0 153.51 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.4 mt -67.52 -9.96 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.542 ' CE2' HG11 ' A' ' 99' ' ' VAL . 7.9 p-90 -128.3 125.43 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -151.14 148.12 27.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -155.3 109.39 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 -151.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.2 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.553 ' CE ' HD12 ' A' ' 41' ' ' ILE . 6.6 ttp -32.28 146.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' ARG . 9.7 pt-20 -91.51 162.58 14.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -33.79 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.31 -45.35 45.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -51.65 -37.63 42.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.09 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.674 ' HA ' HG11 ' A' ' 72' ' ' VAL . 25.8 mt-10 -56.47 -53.04 62.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -44.21 -47.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.553 HD12 ' CE ' ' A' ' 33' ' ' MET . 41.7 mt -60.93 -62.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 49' ' ' THR . 2.1 mt -73.1 2.86 6.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -92.95 -17.99 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -124.69 -21.4 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.554 ' HG2' HG21 ' A' ' 49' ' ' THR . 1.6 tpt85 -55.14 -72.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 t -175.76 174.53 2.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -82.81 97.55 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.87 1.62 8.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.554 HG21 ' HG2' ' A' ' 45' ' ' ARG . 14.3 m -65.16 151.3 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' A' ' 118' ' ' LEU . 10.4 p90 -147.09 174.49 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 pp -169.28 177.13 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.649 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -123.21 107.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 63' ' ' ALA . 4.1 ptm180 -108.73 142.86 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -83.14 160.16 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -96.5 149.07 22.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.67 -33.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.478 ' OD2' ' HB3' ' A' ' 60' ' ' ALA . 32.7 t70 -149.34 136.68 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -22.88 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.478 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . . . -97.79 53.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 5.3 mm-40 -155.87 128.31 7.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -117.56 176.09 5.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB3' ' HG3' ' A' ' 53' ' ' ARG . . . -152.59 150.21 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.526 HG13 HD11 ' A' ' 77' ' ' ILE . 52.9 mt -116.46 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.634 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 3.4 t -95.34 128.67 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.477 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.81 143.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' N ' HG12 ' A' ' 66' ' ' ILE . 11.2 tptm -89.73 120.04 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.411 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 2.1 t80 -161.46 134.7 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' GLU . 1.8 t-20 73.0 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 40.64 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ASN . 19.9 mt-10 -152.75 134.77 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.674 HG11 ' HA ' ' A' ' 39' ' ' GLU . 25.6 t -87.5 117.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.631 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 5.1 mmmt -96.8 171.03 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.634 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 2.7 m-70 -151.35 144.84 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.4 mt -132.15 138.58 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 22.6 ttmt -84.36 149.61 25.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.526 HD11 HG13 ' A' ' 64' ' ' ILE . 96.8 mt -117.54 131.56 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 44.0 mtm -92.38 169.83 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.2 p -149.95 119.44 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -129.08 111.48 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 50.38 44.51 26.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.21 21.39 58.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 29.6 mt -100.68 177.42 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 17.7 m-85 -154.75 124.0 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -160.29 142.6 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.756 HD11 ' OH ' ' A' ' 102' ' ' TYR . 44.9 pt -97.22 -15.11 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 p -137.76 166.46 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 1.3 pm0 -80.57 -29.52 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.76 -55.3 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -92.3 149.91 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.633 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -148.92 163.44 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -146.58 173.26 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -93.45 -46.46 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -128.39 160.18 22.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.458 HD21 HG11 ' A' ' 52' ' ' VAL . 24.2 tp -60.83 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 m -54.76 -70.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 12.6 mm-40 -44.94 -49.29 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.0 tt -47.45 -35.94 9.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 28' ' ' TRP . 84.2 t -90.17 -57.22 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.12 -10.26 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.517 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 92.3 t80 -95.36 -47.17 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.756 ' OH ' HD11 ' A' ' 86' ' ' ILE . 2.2 m-85 -56.44 -27.09 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.724 ' HG2' HD12 ' A' ' 118' ' ' LEU . 4.3 mt-30 -63.48 -7.75 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -115.94 -33.36 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -105.78 113.66 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -51.76 133.25 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 117' ' ' THR . 9.3 mp -70.56 -8.32 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -60.63 -16.72 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -33.59 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.6 m -102.93 -50.81 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.723 ' HE2' HD12 ' A' ' 86' ' ' ILE . 97.5 m-85 -106.14 98.61 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -48.8 -28.04 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 43.6 t -67.48 -48.5 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.431 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 3.8 mm? -80.18 86.44 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 32.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -153.05 164.63 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.416 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.71 161.05 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.849 HD13 ' CE2' ' A' ' 50' ' ' PHE . 30.9 mt -42.99 112.44 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.553 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 20.3 mt-30 -89.38 -53.68 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.3 m-85 -144.54 135.69 12.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -168.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.8 OUTLIER -79.95 -46.08 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.02 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 125' ' ' PRO . 0.4 OUTLIER -176.13 154.79 1.43 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 53.8 Cg_endo -69.81 112.84 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.36 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -168.16 114.34 0.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -126.23 137.79 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -138.88 120.95 15.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 129' ' ' THR . 3.6 t -66.85 105.6 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.1 tt -174.28 141.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.2 m -157.37 121.38 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.23 179.8 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.9 t -106.8 139.32 41.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.13 94.27 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -173.78 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.725 2.283 . . . . 0.0 112.28 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.8 t -155.48 161.42 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.3 p -166.89 145.95 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.489 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -93.83 86.39 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -101.82 130.63 48.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -126.5 124.78 40.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.1 86.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.11 -37.44 33.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 8' ' ' GLU . . . . . 0.422 ' CD ' HD21 ' A' ' 114' ' ' LEU . 32.5 mt-10 -58.89 161.93 4.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -111.54 130.61 22.93 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.732 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.98 69.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.262 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -57.59 118.76 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -90.74 -61.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 14' ' ' GLU . 8.3 pt-20 -50.53 -39.29 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' B' ' 13' ' ' GLU . 0.6 OUTLIER -85.84 106.77 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.654 ' O ' HG22 ' A' ' 25' ' ' VAL . 7.8 t70 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD11 ' CE1' ' A' ' 62' ' ' PHE . 28.4 mt -41.05 -26.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.7 m -45.27 -44.12 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 22' ' ' ASP . 12.6 m -42.83 -37.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.483 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 97.3 m-70 -73.56 150.61 41.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 124' ' ' GLU . 8.7 mt -65.13 -5.75 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 18.5 p-90 -134.75 127.82 31.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -148.98 145.5 27.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.76 111.02 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.52 -148.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.551 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.81 4.54 2.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.9 ttp -32.28 142.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.25 179.73 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.479 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 20.1 tpp85 -52.3 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -42.51 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.13 -37.67 81.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.33 -47.61 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ALA . 34.2 mt-10 -51.21 -57.0 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -49.12 -41.95 37.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.33 -51.7 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.512 HD23 HG22 ' A' ' 49' ' ' THR . 3.3 mt -82.29 -5.47 58.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -91.36 -42.8 10.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -79.31 -37.41 37.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.411 ' N ' ' HD2' ' A' ' 45' ' ' ARG . 3.7 mpt_? -65.24 -176.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 m -68.21 153.44 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 115.34 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.45 7.37 9.96 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.512 HG22 HD23 ' A' ' 42' ' ' LEU . 27.9 m -69.51 157.98 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.18 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.737 ' CG ' HD22 ' A' ' 118' ' ' LEU . 17.6 p90 -152.44 172.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -169.86 176.93 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.909 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -122.26 114.77 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 10.4 ptt85 -116.31 154.94 29.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 19.8 tt0 -108.11 152.38 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.484 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 27.5 ttt180 -93.97 165.21 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.69 -37.75 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -44.67 -57.46 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.09 114.11 16.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.12 -46.47 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.91 63.16 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.11 124.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CE1' HD11 ' A' ' 23' ' ' LEU . 40.7 m-85 -116.71 164.53 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -150.75 137.71 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.88 HG13 HD11 ' A' ' 77' ' ' ILE . 51.7 mt -102.04 111.41 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.483 ' HG ' ' CG ' ' A' ' 74' ' ' HIS . 5.0 t -107.3 118.96 38.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.495 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -129.83 143.14 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 15.4 tptm -87.9 127.32 35.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -166.06 144.77 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.728 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 64.93 49.46 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 48.25 25.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -153.84 148.0 25.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 39' ' ' GLU . 34.4 t -90.31 121.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.523 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 18.9 mmtp -101.48 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.6 m-70 -143.12 152.61 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.446 HD13 ' HE2' ' A' ' 111' ' ' PHE . 23.1 mt -134.42 141.67 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -92.81 117.7 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.88 HD11 HG13 ' A' ' 64' ' ' ILE . 69.0 mt -93.79 136.25 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 mtt -94.05 169.5 10.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 p -147.33 116.12 6.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -120.74 113.38 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 43.33 47.84 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.07 23.5 55.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 80' ' ' ALA . 19.2 mt -104.68 -179.35 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.558 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 15.7 m-85 -155.54 123.38 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.1 143.19 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.812 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -108.58 -11.39 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.812 HG23 HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -129.81 166.2 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.56 -32.8 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -74.63 -47.76 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -94.7 150.34 20.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.67 137.28 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 1.1 m-85 -116.53 173.62 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.526 ' HA ' HD23 ' A' ' 83' ' ' LEU . 6.7 ppt_? -104.14 -32.77 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -134.75 153.28 21.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.446 HD23 HD21 ' A' ' 23' ' ' LEU . 10.6 tp -61.76 -46.36 89.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.483 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 39.2 m -52.15 -49.39 63.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -58.64 -46.7 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.5 tt -55.87 -32.49 63.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 118' ' ' LEU . 96.1 t -81.79 -53.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.22 -5.66 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.516 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 84.4 t80 -94.7 -44.59 7.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -58.98 -36.04 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -52.85 -19.08 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.69 -29.13 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 11.4 m-80 -108.91 111.32 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -54.22 128.68 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.636 HD13 ' HA ' ' A' ' 117' ' ' THR . 8.0 mp -57.18 -14.53 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.92 -27.17 60.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.73 -48.21 81.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' B' ' 11' ' ' ASN . 91.8 m -94.82 -52.24 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.536 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 29.9 m-85 -99.73 71.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -33.3 -36.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' PHE . 48.0 t -55.12 -53.2 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 mp -81.82 94.65 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -84.65 35.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -150.67 157.03 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.636 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.1 OUTLIER -116.78 166.63 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.737 HD22 ' CG ' ' A' ' 50' ' ' PHE . 53.1 mt -44.65 106.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.9 mt-30 -89.81 -47.64 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.0 m-85 -144.67 135.17 12.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.462 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.0 Cg_endo -69.74 -162.83 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.41 -43.24 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 38.2 mttt -82.4 -69.26 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.569 ' O ' HD13 ' A' ' 27' ' ' LEU . 39.7 mt-10 -162.74 145.37 8.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.921 0.391 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.3 p -106.99 140.95 21.89 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 176.53 6.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.386 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 110' ' ' CYS . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.778 0.323 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.583 HD11 ' CE1' ' A' ' 62' ' ' PHE . 21.0 mt -46.82 -21.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 m -47.37 -39.79 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 26' ' ' HIS . 35.6 m -45.38 -42.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.456 ' N ' HG23 ' A' ' 25' ' ' VAL . 96.1 m-70 -67.27 146.77 53.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.34 -10.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.749 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.4 p-90 -131.38 127.85 38.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -148.02 144.24 27.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.01 110.79 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.04 -149.85 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 5.88 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttm -31.57 133.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.08 170.49 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 35' ' ' ARG . 5.0 tmm_? -44.87 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.35 -42.12 40.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.0 71.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.623 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -81.83 -57.07 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.578 ' HA ' HG11 ' A' ' 72' ' ' VAL . 47.5 mt-10 -42.4 -47.96 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 30.3 t -48.17 -47.15 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 42' ' ' LEU . 98.1 mt -54.89 -71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.725 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -53.92 -16.19 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -76.72 -64.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 5.1 mpt_? -66.93 176.61 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ASP . 21.6 m -68.35 121.73 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.9 p-10 -36.41 126.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.27 29.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.4 m -67.97 162.14 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 111.17 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 16.3 p90 -156.24 167.26 30.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.6 pp -162.48 176.98 9.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.916 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 t -118.54 114.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -103.02 163.74 12.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 41.4 tt0 -131.94 155.29 48.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.464 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.8 mmm-85 -94.18 170.27 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.4 -12.69 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.03 -39.78 48.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -142.4 107.56 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.47 -46.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB1' ' OG1' ' A' ' 79' ' ' THR . . . -74.4 69.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -168.58 128.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 23' ' ' LEU . 47.8 m-85 -131.55 174.85 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.32 164.51 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.433 HG13 HD11 ' A' ' 77' ' ' ILE . 23.2 mt -132.92 107.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -103.87 126.52 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.473 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.82 142.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 66' ' ' ILE . 14.5 tptm -88.35 132.05 34.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -172.44 138.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.681 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.14 52.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.62 25.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -154.33 143.33 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 39' ' ' GLU . 21.5 t -95.38 124.1 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.404 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.4 mmtt -99.79 158.05 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.488 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -137.61 142.55 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.521 HD11 ' CD1' ' A' ' 114' ' ' LEU . 22.1 mt -126.94 125.67 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -81.96 141.06 33.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.433 HD11 HG13 ' A' ' 64' ' ' ILE . 34.5 mt -114.32 145.87 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.8 mtm -119.61 154.15 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' HB1' ' A' ' 60' ' ' ALA . 73.2 p -145.87 119.81 9.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.63 -74.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -113.18 51.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.92 20.92 72.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.2 mt -116.18 131.69 56.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 5.1 m-85 -101.48 129.38 47.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -162.17 139.45 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.578 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 5.9 pt -95.41 -19.96 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.8 p -142.0 157.82 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -68.28 -23.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -71.55 -56.78 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -94.81 139.76 30.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.47 144.31 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 98' ' ' LEU . 28.8 m-85 -124.82 167.63 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -93.72 -40.52 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.91 144.05 14.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 47.1 tp -42.28 -47.43 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 m -43.87 -68.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -46.71 -54.95 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 92' ' ' PHE . 10.1 tt -41.28 -33.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.682 HG13 ' CD1' ' A' ' 118' ' ' LEU . 93.8 t -90.62 -47.85 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.7 -5.73 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 20.7 t80 -97.35 -45.41 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.488 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.7 m-85 -55.63 -34.76 65.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -51.0 -17.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -110.81 -23.36 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.434 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 3.6 m-80 -111.34 112.08 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 t -53.69 128.0 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 114' ' ' LEU . 16.5 mt -60.74 -11.27 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.52 -41.2 84.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.5 m -94.99 -56.78 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.578 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.41 101.87 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -19.64 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -74.59 -53.7 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.521 ' CD1' HD11 ' A' ' 75' ' ' ILE . 11.8 mt -78.77 99.81 6.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.76 35.41 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.2 t -157.67 151.94 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 164.09 12.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.682 ' CD1' HG13 ' A' ' 99' ' ' VAL . 30.8 mt -46.19 109.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.447 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.4 mt-30 -88.66 -51.43 5.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.0 m-85 -143.17 136.89 14.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.451 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.8 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -38.99 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -87.01 -66.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.451 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.2 pt-20 -175.18 151.45 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -107.78 143.25 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 162.22 42.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.701 ' O ' HG22 ' A' ' 25' ' ' VAL . 18.9 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.844 0.354 . . . . 0.0 110.836 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 14.9 mt -43.31 -25.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.0 t -47.12 -41.47 17.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 22' ' ' ASP . 6.9 m -41.52 -32.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 92.1 m-70 -78.33 146.1 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 27' ' ' LEU . 7.3 tp -57.51 -11.3 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.6 p-90 -130.09 127.47 39.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -148.78 153.21 37.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.913 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.5 111.11 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . . . -57.76 -151.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.69 2.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 41.5 ttp -38.6 137.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -90.45 174.6 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.6 tmm_? -44.64 -66.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.58 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.47 -36.59 93.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.618 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -63.84 -57.9 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.5 mt-10 -41.48 -43.23 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 41.0 t -51.78 -42.83 62.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.581 HG22 HD13 ' A' ' 42' ' ' LEU . 91.1 mt -65.79 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -53.28 -18.58 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -69.2 -33.19 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 40' ' ' SER . 62.9 m-80 -93.64 -38.16 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 2.1 mmt180 -61.47 -175.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -77.62 172.79 12.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.73 114.67 13.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.16 1.65 18.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 50' ' ' PHE . 31.9 m -64.57 158.93 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.89 ' CG ' HD22 ' A' ' 118' ' ' LEU . 24.0 p90 -153.17 170.74 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.43 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 3.0 pp -160.82 174.45 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.913 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.8 t -129.47 115.21 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptt-85 -119.45 156.72 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.487 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.2 tt0 -100.53 158.93 15.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.487 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 26.1 mtt180 -94.61 167.48 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.96 -36.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -53.33 -53.0 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -130.32 118.89 21.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.86 -60.6 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 74.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 0.7 OUTLIER -168.92 147.7 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 32.7 m-85 -141.75 176.49 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.15 156.89 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.78 103.94 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.7 t -99.94 136.51 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.599 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -142.01 145.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 7.7 tptm -94.52 133.31 38.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -174.11 142.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.677 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.3 t-20 63.88 50.58 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.4 m 46.67 24.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 22.3 mm-40 -151.37 137.5 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.5 t -91.09 121.64 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.49 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 9.7 mttt -95.18 172.06 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.539 ' CE1' ' HG2' ' A' ' 35' ' ' ARG . 6.4 m-70 -150.07 140.72 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 57.9 mt -124.38 135.69 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -95.73 138.42 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 70.5 mt -108.28 137.62 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mtm -112.44 146.63 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.7 p -138.02 135.67 36.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.6 -66.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.13 46.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.64 29.3 63.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -122.75 151.09 41.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -116.73 126.8 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -161.51 138.95 8.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.8 pt -93.78 -19.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.5 p -133.57 155.75 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.63 -37.94 85.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -65.68 -57.74 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -83.32 150.33 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.479 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -154.32 161.3 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 3.2 m-85 -142.4 168.66 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -88.32 -44.47 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.518 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.96 156.04 24.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.596 HD21 HG11 ' A' ' 52' ' ' VAL . 11.5 tp -50.38 -41.34 51.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.4 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 87.1 m -51.9 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 8.6 mm-40 -45.66 -41.41 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.508 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 5.3 tt -56.77 -37.75 71.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.768 HG13 ' CD1' ' A' ' 118' ' ' LEU . 98.1 t -83.69 -51.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.17 -5.58 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CE2' ' OD1' ' A' ' 105' ' ' ASN . 83.1 t80 -95.84 -47.35 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CE1' HD23 ' A' ' 107' ' ' LEU . 2.3 m-85 -54.23 -36.8 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -52.19 -20.59 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.0 -31.93 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.566 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -111.37 111.73 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -50.1 135.13 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.604 HD23 ' CE1' ' A' ' 102' ' ' TYR . 12.8 mt -57.8 -21.18 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 7.5 ptmt -57.63 -19.91 29.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -55.95 -40.86 73.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.3 m -100.47 -50.14 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -91.7 157.49 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -98.06 -40.16 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.0 t -65.64 -47.96 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.467 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 7.7 mt -74.33 96.17 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 11.7 t70 -96.42 25.21 5.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -143.59 178.72 7.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -137.17 172.37 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.89 HD22 ' CG ' ' A' ' 50' ' ' PHE . 65.3 mt -46.44 108.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.455 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 37.6 mm-40 -90.56 -47.46 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.61 135.6 13.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.457 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.4 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.237 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -61.43 -50.96 70.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 20.3 mttp -70.7 -70.27 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 9.8 pt-20 -175.53 152.57 1.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 m -100.48 139.91 21.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.678 0.751 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 156.04 64.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.78 0.324 . . . . 0.0 110.887 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.576 HD11 ' CE1' ' A' ' 62' ' ' PHE . 18.1 mt -37.87 -35.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' VAL . 46.8 t -38.61 -49.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 26' ' ' HIS . 34.4 m -37.86 -44.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.502 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 99.6 m-70 -64.86 146.88 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 27' ' ' LEU . 7.5 tp -59.61 -9.47 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.74 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 17.9 p-90 -132.17 128.41 37.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -148.04 151.81 36.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.925 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.34 111.0 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.37 -148.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.7 Cg_endo -69.7 8.56 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.712 ' CE ' HD11 ' A' ' 41' ' ' ILE . 5.5 tpp -28.56 140.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -98.44 172.35 7.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HD2' ' C ' ' A' ' 35' ' ' ARG . 3.3 tmm_? -39.49 -69.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.0 -32.98 82.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -64.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HA ' HG11 ' A' ' 72' ' ' VAL . 31.1 mt-10 -40.09 -42.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -52.71 -45.2 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 ' CE ' ' A' ' 33' ' ' MET . 46.1 mt -59.22 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.703 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.06 -27.34 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -57.33 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.05 -45.14 95.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -63.46 -177.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -67.04 169.45 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.31 120.57 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.66 6.13 25.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 50' ' ' PHE . 27.8 m -67.17 156.43 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CG ' HD22 ' A' ' 118' ' ' LEU . 30.2 p90 -149.88 171.45 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' HD11 ' A' ' 42' ' ' LEU . 2.4 pp -167.32 176.63 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.925 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.8 t -127.0 114.79 38.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -116.82 152.42 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 59.9 tt0 -96.73 160.51 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -93.66 157.06 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.28 -42.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -52.17 -46.85 65.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -131.48 115.37 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -44.6 -58.28 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.04 79.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -165.42 162.12 19.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' HD11 ' A' ' 23' ' ' LEU . 42.3 m-85 -160.2 169.16 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.71 154.08 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt -116.81 105.36 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -98.82 125.38 44.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.489 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.27 141.39 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 9.6 tptm -88.02 133.04 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -174.15 140.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.2 49.47 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 47.84 25.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.461 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 8.6 mm-40 -153.47 141.4 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.441 HG11 ' HA ' ' A' ' 39' ' ' GLU . 95.6 t -90.15 120.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -95.5 154.85 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 1.2 m-70 -136.99 136.37 38.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 114' ' ' LEU . 4.5 mp -119.82 121.93 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.6 ttpm? -77.97 146.71 35.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.429 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 83.6 mt -121.48 127.27 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.6 mtm -92.86 154.0 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 83' ' ' LEU . 58.2 p -149.83 142.07 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.84 -71.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -111.12 11.87 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.3 25.22 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 79' ' ' THR . 3.4 mm? -105.8 176.39 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 4.5 m-85 -150.81 124.34 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -162.16 141.34 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.4 pt -96.4 -17.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.5 p -144.33 158.0 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.16 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -60.62 -58.74 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -97.56 141.11 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.47 150.31 34.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.7 m-85 -123.68 173.12 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 6.0 ppt_? -99.2 -36.87 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -137.14 153.33 21.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.533 HD23 HD21 ' A' ' 23' ' ' LEU . 62.2 tp -53.93 -42.45 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.502 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 63.5 m -50.86 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -46.45 -45.29 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 10.3 tt -51.6 -34.1 35.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.576 HG13 ' CD1' ' A' ' 118' ' ' LEU . 68.1 t -88.49 -46.01 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.55 -4.93 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.606 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 92.8 t80 -96.83 -46.2 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -55.01 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -50.28 -21.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -109.17 -29.98 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.606 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 11.0 m-80 -107.11 109.67 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -56.19 133.24 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 117' ' ' THR . 9.5 mp -62.28 -8.83 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -66.46 -19.95 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.54 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.9 m -101.0 -52.58 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -97.71 158.01 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.503 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -104.41 -16.3 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -78.99 -45.39 20.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.639 HD12 ' HG3' ' B' ' 8' ' ' GLU . 4.4 mt -90.9 100.31 13.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -96.72 29.59 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -147.47 166.1 28.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.402 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.69 163.7 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.591 HD22 ' CG ' ' A' ' 50' ' ' PHE . 31.5 mt -41.79 109.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.15 -50.78 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 2.0 m-85 -143.22 134.0 12.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.439 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.1 Cg_endo -69.75 -178.48 2.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.38 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CE2' ' HG2' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -61.14 -50.79 71.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.452 ' HG2' ' CE2' ' A' ' 122' ' ' PHE . 1.7 mtpm? -71.74 -69.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 125' ' ' PRO . 1.8 pp20? -176.01 153.28 1.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.415 ' O ' ' CD ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.639 ' HG3' HD12 ' A' ' 114' ' ' LEU . 6.4 mm-40 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.879 0.371 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -98.52 142.29 24.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 140.44 42.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.503 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.2 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.846 0.355 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 36.2 mt -53.07 -25.89 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.3 p -38.88 -40.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 26' ' ' HIS . 34.5 m -45.82 -45.46 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.511 ' N ' HG23 ' A' ' 25' ' ' VAL . 96.3 m-70 -62.11 151.41 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.84 -5.43 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.6 p-90 -135.55 127.6 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -148.95 146.38 27.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.931 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.59 110.45 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.44 -154.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.78 3.17 2.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 25.2 ttp -33.48 141.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.7 pt-20 -81.34 155.39 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -37.42 -62.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -46.36 44.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.468 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -53.07 -39.31 57.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.47 54.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.3 mt-10 -40.75 -49.93 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 6.8 t -55.53 -42.83 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 42' ' ' LEU . 15.0 mt -60.35 -63.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.548 HD23 HG22 ' A' ' 49' ' ' THR . 5.8 mt -67.51 -5.17 13.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -71.98 -59.17 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.58 -46.88 88.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -49.82 -179.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -79.77 158.51 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -61.59 103.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.96 -0.83 3.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.514 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.548 HG22 HD23 ' A' ' 42' ' ' LEU . 22.7 m -64.95 149.64 49.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.846 ' CG ' HD22 ' A' ' 118' ' ' LEU . 25.1 p90 -145.12 177.96 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 65' ' ' SER . 0.9 OUTLIER -170.53 177.15 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.931 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 t -121.04 116.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 63' ' ' ALA . 11.1 mtm-85 -105.87 165.19 11.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 40.4 tt0 -129.72 156.06 44.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.8 tpt85 -97.2 158.03 15.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.7 -33.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -53.68 -45.96 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -136.37 113.95 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.56 -28.82 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.78 54.24 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -141.25 163.93 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 77' ' ' ILE . 22.2 m-85 -160.22 167.64 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -151.27 157.45 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 77' ' ' ILE . 63.6 mt -128.82 102.32 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' ' 51' ' ' LEU . 32.4 t -100.55 133.96 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.57 145.82 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.425 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.4 tptp -92.95 120.58 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.471 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 3.0 t80 -167.4 138.86 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.2 t-20 72.63 54.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.59 25.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASN . 14.8 mt-10 -156.66 137.6 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' A' ' 39' ' ' GLU . 86.7 t -87.4 123.48 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.592 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 14.8 mmtm -98.19 163.23 12.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.592 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.4 m-70 -152.67 137.2 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.421 HD11 HD11 ' A' ' 114' ' ' LEU . 5.1 mp -125.09 150.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -97.03 147.08 24.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 62' ' ' PHE . 58.7 mt -113.18 156.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.502 ' N ' HG22 ' A' ' 77' ' ' ILE . 40.0 mtm -125.41 160.04 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 83' ' ' LEU . 80.4 p -147.64 125.46 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.88 -74.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -115.5 15.55 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.77 14.04 3.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.599 HD22 ' N ' ' A' ' 83' ' ' LEU . 2.5 mm? -97.39 179.79 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 2.0 m-85 -143.5 121.86 12.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -159.58 130.15 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.497 HG13 HG23 ' A' ' 87' ' ' THR . 18.8 pt -84.29 -24.5 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.497 HG23 HG13 ' A' ' 86' ' ' ILE . 40.3 p -119.4 178.2 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -93.88 -27.18 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -76.51 -55.57 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 12.2 tppt? -85.86 149.51 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -150.05 159.95 44.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.638 ' CD1' HD12 ' A' ' 98' ' ' LEU . 10.0 m-85 -139.48 166.27 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -85.32 -44.39 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.63 154.9 24.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 55.6 tp -48.72 -45.35 39.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 m -49.18 -67.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -44.84 -52.49 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.638 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.1 tt -48.33 -35.06 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.516 HG13 HD13 ' A' ' 118' ' ' LEU . 88.1 t -82.27 -51.93 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -64.4 -5.37 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.514 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 73.6 t80 -97.61 -47.99 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.564 ' CD1' HD23 ' A' ' 107' ' ' LEU . 1.6 m-85 -52.79 -36.26 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.25 -17.99 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -104.39 -34.24 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.62 112.69 25.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -52.99 135.03 37.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 102' ' ' TYR . 88.3 mt -59.21 -13.56 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -67.88 -18.69 64.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.28 -38.32 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.04 -38.12 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' B' ' 10' ' ' PRO . 2.9 m-85 -103.49 163.89 12.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -26.29 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.5 m -83.32 -42.73 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.743 HD11 ' OE2' ' B' ' 8' ' ' GLU . 28.7 mt -82.68 98.71 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -97.69 37.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -153.86 160.76 42.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.07 163.42 19.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.846 HD22 ' CG ' ' A' ' 50' ' ' PHE . 36.3 mt -43.97 110.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -93.48 -44.68 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.0 m-85 -147.42 138.97 13.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 54.1 Cg_endo -69.75 -169.84 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.757 2.305 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -71.36 -34.14 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -92.9 -65.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 14.1 pt-20 -175.18 153.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.208 0 C-N-CA 122.726 2.284 . . . . 0.0 112.309 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.743 ' OE2' HD11 ' A' ' 114' ' ' LEU . 12.3 mt-10 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.825 0.345 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -136.15 133.43 19.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.683 0.754 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.486 ' HG3' HG22 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.79 174.3 9.73 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' SER . 23.9 t70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.878 0.37 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' A' ' 62' ' ' PHE . 19.5 mt -35.8 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ASP . 27.4 t -39.46 -46.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 26' ' ' HIS . 24.2 m -40.18 -44.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.194 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.471 ' N ' HG23 ' A' ' 25' ' ' VAL . 99.8 m-70 -63.33 147.19 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.43 -10.3 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 15.3 p-90 -130.28 127.76 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -148.76 151.94 35.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.04 110.92 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.1 -151.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.3 Cg_endo -69.77 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 25.9 ttp -35.37 135.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -80.56 171.85 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -47.68 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.27 -39.69 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.462 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.42 -37.33 94.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.659 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -66.91 -61.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.457 ' HA ' HG11 ' A' ' 72' ' ' VAL . 28.2 mt-10 -38.33 -51.98 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.532 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.8 m -43.08 -53.42 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.563 HG22 HD13 ' A' ' 42' ' ' LEU . 76.5 mt -52.56 -70.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -49.74 -24.41 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -70.08 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.54 -41.75 90.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -66.42 -178.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 m -68.18 161.23 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.52 120.67 14.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.9 5.77 23.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.458 HG22 HD12 ' A' ' 42' ' ' LEU . 16.7 m -65.53 157.85 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.958 ' CG ' HD22 ' A' ' 118' ' ' LEU . 18.8 p90 -155.31 167.44 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 2.6 pp -163.27 177.05 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.882 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -123.57 118.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -121.35 155.88 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.468 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 53.0 tt0 -102.53 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 10.1 mtt-85 -93.69 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 m -110.01 -36.55 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -50.07 -38.6 38.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 29.3 t70 -145.82 130.08 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.24 -56.47 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.17 75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -155.83 164.78 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 23' ' ' LEU . 27.6 m-85 -161.5 165.52 28.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.8 164.93 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.7 mt -134.48 115.36 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 m -111.41 130.99 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.522 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.06 144.7 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.5 tptp -90.49 126.55 35.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -171.94 139.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.625 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.8 t-20 69.32 52.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 45.18 25.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -158.38 143.93 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 39' ' ' GLU . 85.3 t -93.88 120.67 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -95.45 152.95 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 35' ' ' ARG . 2.0 m-70 -131.95 147.81 52.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 48.6 mt -132.01 136.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.421 ' HD3' ' NH2' ' A' ' 55' ' ' ARG . 25.5 ttpp -89.53 151.74 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 62' ' ' PHE . 69.3 mt -125.81 145.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 79' ' ' THR . 30.3 mtm -121.66 161.86 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 78' ' ' MET . 41.1 p -157.21 115.33 3.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.33 -66.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -111.42 48.54 0.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.82 31.16 65.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -124.31 133.11 53.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.532 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 5.9 m-85 -102.74 125.57 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -161.98 140.4 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.6 pt -97.65 -16.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.7 p -141.04 161.08 38.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.81 -34.42 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -64.04 -50.58 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.3 tppt? -100.22 147.79 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -152.01 162.38 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -142.6 170.67 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -92.8 -44.13 8.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.04 151.78 21.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 52' ' ' VAL . 21.2 tp -48.06 -49.3 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.6 m -41.87 -56.13 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -61.18 -49.35 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.524 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.7 tt -45.93 -35.15 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.764 HG13 HD13 ' A' ' 118' ' ' LEU . 83.7 t -90.33 -39.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.68 -5.26 36.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.52 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 88.7 t80 -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.459 ' CD1' HD23 ' A' ' 107' ' ' LEU . 2.2 m-85 -53.23 -32.31 47.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -60.67 -11.34 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -112.75 -15.01 13.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -129.84 109.56 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.409 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 29.5 t -45.43 131.15 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 116' ' ' THR . 17.9 mt -54.98 -19.45 6.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 8.1 pttp -57.59 -22.9 47.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.23 -43.6 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.435 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 63.8 m -96.47 -58.58 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -87.35 160.41 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -47.03 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -57.0 -47.83 79.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.1 mt -79.72 99.89 7.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 3.8 t70 -102.2 31.23 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 107' ' ' LEU . 14.2 t -146.17 155.16 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.409 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -111.56 165.81 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.958 HD22 ' CG ' ' A' ' 50' ' ' PHE . 52.1 mt -47.23 111.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.4 -51.74 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -142.13 136.7 15.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.447 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.75 -166.88 0.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.748 2.298 . . . . 0.0 112.341 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.415 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -73.86 -36.41 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -91.75 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.447 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 10.6 pt-20 -175.1 152.28 1.45 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.75 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -94.48 142.57 24.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.89 63.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 58.4 m-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.618 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.3 m-20 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.865 0.364 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.705 HD11 ' CE1' ' A' ' 62' ' ' PHE . 14.8 mt -42.91 -24.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' ASP . 56.1 p -48.66 -41.55 31.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 22' ' ' ASP . 16.1 m -42.64 -30.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -80.06 151.84 29.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.0 tp -64.99 -8.6 16.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.819 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 19.9 p-90 -132.4 127.75 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -148.46 147.78 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -152.63 110.43 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.88 -152.72 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.541 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.5 Cg_endo -69.78 6.28 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttm -29.68 137.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -173.52 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.419 ' NH1' ' ND1' ' A' ' 74' ' ' HIS . 13.1 tpp180 -61.45 -69.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.14 -27.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.47 -34.65 63.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.687 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -74.21 -62.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.676 ' HA ' HG11 ' A' ' 72' ' ' VAL . 21.1 mt-10 -41.85 -53.51 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.565 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 26.8 t -42.52 -55.11 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.476 HD11 ' HE1' ' A' ' 33' ' ' MET . 85.1 mt -48.74 -70.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.64 -14.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -81.14 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -60.23 -28.88 68.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -78.63 174.26 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -61.51 157.17 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -68.08 114.84 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.73 2.03 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.5 m -66.04 155.55 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.657 ' CG ' HD22 ' A' ' 118' ' ' LEU . 32.5 p90 -151.32 166.96 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 2.1 pp -161.65 175.85 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.928 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.54 112.99 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.546 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -107.24 168.85 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 42.2 tt0 -131.16 154.15 48.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.1 ptm180 -94.0 171.52 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 m -104.59 -29.23 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -59.24 -59.0 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -120.15 110.07 16.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.62 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.76 75.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 62' ' ' PHE . 5.4 tm-20 -169.78 170.13 8.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.705 ' CE1' HD11 ' A' ' 23' ' ' LEU . 33.0 m-85 -163.08 173.66 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.448 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -149.84 163.98 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.485 HG13 HD11 ' A' ' 77' ' ' ILE . 70.6 mt -135.59 107.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 m -106.56 131.4 53.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.489 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -139.59 144.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 12.1 tptm -91.0 133.15 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -175.58 134.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.416 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.7 t-20 71.24 55.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.774 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.0 OUTLIER 40.63 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' ASN . 8.2 mt-10 -156.0 133.23 10.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 39' ' ' GLU . 48.1 t -87.16 125.01 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.556 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 35.5 mmtt -101.44 164.26 11.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -147.41 145.2 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.7 mt -129.75 123.37 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -83.4 130.61 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.539 HD12 ' C ' ' A' ' 62' ' ' PHE . 25.3 mt -98.59 156.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . 0.484 ' N ' HG22 ' A' ' 77' ' ' ILE . 27.8 mtm -132.44 146.2 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.6 p -136.33 138.08 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.08 -74.88 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -108.4 47.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.05 30.58 50.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.7 mt -124.88 144.16 50.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.557 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 2.9 m-85 -113.51 127.76 56.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -161.95 144.36 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.48 HD11 ' OH ' ' A' ' 102' ' ' TYR . 7.6 pt -102.98 -13.92 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.3 p -141.37 160.19 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -74.69 -32.19 62.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -61.72 -59.93 4.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 8.4 tppt? -98.58 147.85 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -144.6 154.65 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -131.71 171.91 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 4.5 ppt_? -98.43 -35.18 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.557 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -144.57 155.22 26.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.461 HD13 HD13 ' A' ' 77' ' ' ILE . 60.2 tp -56.56 -39.4 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -50.1 -55.66 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.82 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.9 tt -49.13 -28.84 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 118' ' ' LEU . 90.2 t -92.96 -43.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.99 -5.47 35.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.511 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 79.7 t80 -97.38 -50.76 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.6 m-85 -53.32 -32.59 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.445 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 36.4 mt-30 -59.47 -12.53 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -112.75 -15.53 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -130.12 109.02 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.432 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 7.7 t -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 102' ' ' TYR . 9.2 mt -58.09 -16.88 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -59.19 -16.86 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -59.26 -36.91 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 64.3 m -104.39 -58.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.439 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 23.1 m-85 -87.18 158.49 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.1 -42.87 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -57.24 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 mt -77.05 96.18 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.48 23.12 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -136.18 -177.28 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -138.76 171.01 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.759 HD13 HG13 ' A' ' 99' ' ' VAL . 48.1 mt -50.51 107.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.421 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 60.9 mt-30 -89.99 -48.49 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.487 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-85 -143.97 136.54 13.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.77 -171.25 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.4 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 1.4 t80 -69.77 -52.4 25.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -67.72 -70.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 3.5 pt-20 -175.17 151.68 1.37 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 -179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -107.26 141.02 22.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.21 53.4 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.283 . . . . 0.0 112.314 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 25.4 m-20 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.838 0.352 . . . . 0.0 110.817 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.617 HD11 ' CE1' ' A' ' 62' ' ' PHE . 17.2 mt -40.62 -30.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 m -40.21 -44.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 26' ' ' HIS . 33.4 m -43.91 -46.38 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.534 ' N ' HG23 ' A' ' 25' ' ' VAL . 98.5 m-70 -61.94 146.03 51.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.34 -9.49 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.719 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.0 p-90 -131.52 128.36 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -148.43 140.57 24.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.94 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.49 110.09 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.66 -144.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.8 6.01 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.2 ttp -29.72 137.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.62 175.87 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HD3' ' CD ' ' A' ' 39' ' ' GLU . 5.7 tmm_? -45.33 -68.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.92 -30.28 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.92 -27.72 73.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.623 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -92.65 -60.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 23.8 mt-10 -43.7 -43.97 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -53.0 -37.35 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.592 HG22 HD13 ' A' ' 42' ' ' LEU . 95.4 mt -69.69 -71.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.697 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -54.32 -21.52 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -72.27 -63.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.05 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -62.05 -37.37 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HD3' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -65.34 -179.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 m -67.42 146.56 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.38 108.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.01 7.6 4.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 50' ' ' PHE . 10.0 m -70.25 161.09 30.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 16.6 p90 -156.56 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 65' ' ' SER . 0.9 OUTLIER -163.57 177.2 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.94 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.2 t -118.49 114.73 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 29.7 mtm180 -100.03 169.04 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.479 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 52.7 tt0 -133.42 157.58 45.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.0 mmt180 -94.0 161.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.3 m -106.8 -5.93 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -85.68 -47.35 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' ALA . 5.6 m-20 -135.08 102.87 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.44 -42.86 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.81 69.62 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -169.28 129.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 23' ' ' LEU . 48.4 m-85 -128.8 177.62 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -156.0 165.66 35.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 98' ' ' LEU . 16.4 mt -129.99 118.65 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.635 ' HB2' HD11 ' A' ' 51' ' ' LEU . 50.4 m -113.2 117.28 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.463 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -130.35 141.01 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.478 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 15.1 tptm -87.32 137.4 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -174.46 135.36 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.666 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.0 t-20 66.47 51.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 46.31 25.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 5.2 mm-40 -152.39 136.87 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' A' ' 39' ' ' GLU . 18.7 t -94.49 124.65 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.613 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 53.0 mmtt -100.24 170.82 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.613 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -150.58 141.41 22.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.729 HD11 HD23 ' A' ' 107' ' ' LEU . 26.2 mt -121.99 128.33 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -87.67 126.61 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -100.16 135.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.8 mtm -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.6 p -143.1 127.61 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.63 -69.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.52 47.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.94 63.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -123.58 139.55 53.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 0.5 OUTLIER -117.3 128.83 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -162.44 139.23 7.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.507 HG21 HG21 ' A' ' 75' ' ' ILE . 2.9 pt -90.79 -19.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' B' ' 10' ' ' PRO . 11.5 p -140.99 166.55 24.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -75.76 -26.35 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.0 -59.45 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.23 150.24 22.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.16 168.83 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.558 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 20.8 m-85 -140.44 169.53 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.39 -20.65 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.519 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -150.05 152.53 24.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.482 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.718 HD21 HG11 ' A' ' 52' ' ' VAL . 23.2 tp -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.6 m -57.59 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -51.64 -45.87 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.558 ' HG ' ' CE1' ' A' ' 92' ' ' PHE . 7.5 tt -48.66 -42.76 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.4 t -79.83 -45.38 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.78 -5.66 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.519 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 43.2 t80 -96.92 -51.16 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 104' ' ' GLN . 2.3 m-85 -47.88 -47.29 31.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.407 ' HG2' ' HB2' ' A' ' 118' ' ' LEU . 72.1 mt-30 -43.2 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 102' ' ' TYR . 9.6 mt-30 -102.73 -35.81 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -104.84 114.15 28.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.407 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 9.1 t -61.92 136.09 57.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.729 HD23 HD11 ' A' ' 75' ' ' ILE . 7.5 mp -59.42 -10.42 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -64.85 -16.9 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.34 -47.81 46.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 40.6 m -95.11 -50.2 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.412 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.4 m-85 -95.73 123.31 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -15.34 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.2 m -78.22 -53.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.723 HD13 ' CD2' ' A' ' 107' ' ' LEU . 3.0 mt -82.87 114.71 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -105.34 24.43 12.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -141.31 163.89 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -115.13 174.18 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 1.8 mp -61.22 109.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.485 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 25.6 mm-40 -87.95 -49.2 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.2 m-85 -142.9 138.39 15.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.22 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.404 ' CE2' ' HG2' ' A' ' 123' ' ' LYS . 0.7 OUTLIER -75.39 -40.17 58.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.404 ' HG2' ' CE2' ' A' ' 122' ' ' PHE . 3.4 mtpm? -85.03 -65.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -175.04 151.28 1.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.548 ' HG3' HD12 ' A' ' 114' ' ' LEU . 3.8 mm-40 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.896 0.379 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -112.23 138.9 21.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.419 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.5 Cg_endo -69.79 163.03 39.82 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LEU . 17.4 t70 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.765 HD11 ' CE1' ' A' ' 62' ' ' PHE . 24.4 mt -51.39 -18.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -52.64 -37.51 58.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.7 m -51.7 -17.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.171 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -92.39 147.04 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.414 ' HA ' HD12 ' A' ' 27' ' ' LEU . 7.0 tp -59.31 -9.61 2.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 12.3 p-90 -131.87 127.65 36.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.65 146.11 28.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.923 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -151.31 110.56 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.4 -155.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.79 4.76 2.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.571 ' HE1' HD12 ' A' ' 41' ' ' ILE . 8.1 ttp -32.53 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -85.5 174.43 9.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 8.1 tmm_? -55.16 -61.69 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -32.51 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.461 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -72.13 -30.16 65.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.65 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -76.91 -63.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HA ' HG11 ' A' ' 72' ' ' VAL . 17.0 mt-10 -38.24 -53.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.8 t -45.39 -52.17 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.571 HD12 ' HE1' ' A' ' 33' ' ' MET . 34.3 mt -48.05 -70.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.731 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.98 -26.96 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -69.07 -62.2 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -49.8 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -175.22 -176.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.83 104.23 16.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.81 -1.58 9.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 50' ' ' PHE . 10.2 m -64.94 160.25 21.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.786 ' CG ' HD22 ' A' ' 118' ' ' LEU . 21.0 p90 -152.91 168.52 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.557 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 pp -161.18 177.11 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.923 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.94 117.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 8.8 mtm-85 -108.53 164.2 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.479 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 53.1 tt0 -115.39 159.99 20.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 ttm180 -93.72 172.7 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 -33.42 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.45 -46.68 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.468 ' CB ' ' OE1' ' A' ' 61' ' ' GLU . 20.3 m-20 -142.48 131.75 23.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.4 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . . . -78.48 57.72 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' OE1' ' CB ' ' A' ' 58' ' ' ASP . 17.1 mp0 -151.22 161.53 42.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.765 ' CE1' HD11 ' A' ' 23' ' ' LEU . 38.2 m-85 -162.85 175.04 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.82 164.08 38.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.462 HG13 HD11 ' A' ' 77' ' ' ILE . 71.7 mt -134.95 100.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 32.1 t -93.97 141.83 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.523 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -146.92 144.41 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.5 tptp -92.79 132.9 36.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.44 ' HB2' HG21 ' A' ' 116' ' ' THR . 5.4 t80 -175.15 137.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.665 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.9 t-20 66.21 52.21 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.25 24.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -154.17 138.04 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 39' ' ' GLU . 43.5 t -97.14 119.38 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.513 ' CG ' HD11 ' A' ' 114' ' ' LEU . 24.0 mmtt -95.44 167.72 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -137.77 140.66 40.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.51 HG12 ' CG ' ' B' ' 8' ' ' GLU . 7.8 mt -121.39 115.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -78.34 141.54 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.694 HD13 HD13 ' A' ' 95' ' ' LEU . 57.5 mt -113.57 131.43 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 31.9 mtm -104.09 148.95 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 p -144.64 131.73 20.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.06 -58.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -116.65 44.24 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.52 31.29 61.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.4 HD22 ' O ' ' A' ' 92' ' ' PHE . 37.8 mt -123.7 145.42 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.518 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 2.3 m-85 -114.15 121.51 43.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -154.0 141.74 20.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.035 HD12 HG23 ' A' ' 87' ' ' THR . 2.1 pp -101.67 -13.23 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.035 HG23 HD12 ' A' ' 86' ' ' ILE . 1.4 p -148.81 127.03 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -42.77 -24.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 87' ' ' THR . 25.3 mmmt -68.66 -51.5 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.477 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 5.6 tppp? -100.61 146.78 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -148.86 134.23 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -116.22 172.66 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.57 -31.67 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.02 141.94 9.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.694 HD13 HD13 ' A' ' 77' ' ' ILE . 47.5 tp -43.93 -42.63 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.3 m -44.75 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.11 -51.98 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 92' ' ' PHE . 6.1 tt -43.93 -37.71 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.747 HG13 ' CD1' ' A' ' 118' ' ' LEU . 93.0 t -85.68 -47.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.2 -5.24 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.526 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 75.6 t80 -97.23 -49.56 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.624 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.5 m-85 -53.04 -31.6 42.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -60.55 -11.24 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.04 -14.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -130.38 109.81 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -45.97 134.11 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.624 HD23 ' CE1' ' A' ' 102' ' ' TYR . 14.1 mt -60.37 -15.85 29.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 6.5 ptmt -56.12 -22.46 28.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.96 -31.62 41.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 13.3 m -120.85 -48.68 2.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' B' ' 8' ' ' GLU . 2.7 m-85 -92.18 85.5 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -41.49 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -57.49 -54.21 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 73' ' ' LYS . 5.9 mp -79.72 100.25 7.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 6.4 t70 -96.79 34.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.483 ' O ' HD12 ' A' ' 107' ' ' LEU . 13.9 t -141.2 157.33 45.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.65 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.786 HD22 ' CG ' ' A' ' 50' ' ' PHE . 60.4 mt -43.12 109.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.87 -51.99 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -142.32 138.66 16.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.411 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.75 -166.44 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -72.77 -51.8 17.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.409 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 33.0 mttt -69.86 -69.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.87 150.76 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.574 ' HG2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.836 0.351 . . . . 0.0 110.913 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -134.98 133.38 20.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.417 ' HB3' HG21 ' A' ' 87' ' ' THR . 53.8 Cg_endo -69.76 177.17 5.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 24' ' ' SER . 23.7 t0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.868 0.366 . . . . 0.0 110.809 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.688 HD11 ' CE1' ' A' ' 62' ' ' PHE . 20.1 mt -43.77 -22.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 22' ' ' ASP . 36.6 p -45.74 -43.48 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 26' ' ' HIS . 28.4 m -42.67 -40.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.413 ' N ' HG23 ' A' ' 25' ' ' VAL . 98.8 m-70 -69.02 152.5 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.7 tp -66.2 -3.45 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.765 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 13.6 p-90 -138.0 127.27 24.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -149.6 145.06 26.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.39 109.89 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -154.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.77 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.1 ttp -31.24 143.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.78 160.69 28.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.3 tmm_? -43.47 -62.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -31.53 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -64.88 -34.19 89.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.894 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -77.24 -60.66 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.625 ' HA ' HG11 ' A' ' 72' ' ' VAL . 25.8 mt-10 -38.12 -57.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.2 t -49.57 -46.62 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.521 HG22 HD13 ' A' ' 42' ' ' LEU . 89.7 mt -55.62 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -49.65 -17.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -82.24 -63.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -61.82 -25.88 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -176.1 169.46 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.93 97.68 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.41 4.76 5.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -72.48 153.86 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.764 ' CG ' HD22 ' A' ' 118' ' ' LEU . 10.9 p90 -148.25 169.23 20.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 65' ' ' SER . 1.1 pt? -162.83 177.26 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.891 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -120.82 117.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 4.9 mtm105 -105.01 170.06 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 43.1 tt0 -128.76 158.88 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 tpt180 -96.22 150.17 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 m -86.77 -40.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -52.36 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.17 137.65 26.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.68 41.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.21 42.61 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 19.7 mp0 -158.15 175.34 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.688 ' CE1' HD11 ' A' ' 23' ' ' LEU . 60.9 m-85 -162.24 176.12 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.06 164.37 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mt -133.1 101.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.677 ' HB2' HD21 ' A' ' 51' ' ' LEU . 70.0 m -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.51 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.93 143.04 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 66' ' ' ILE . 20.1 tptm -88.51 128.63 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CZ ' ' OD1' ' A' ' 115' ' ' ASP . 1.0 OUTLIER -164.72 136.89 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.666 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.2 t-20 62.85 52.66 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.43 25.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.46 132.49 15.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 39' ' ' GLU . 24.6 t -92.07 118.49 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.53 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.1 mmtt -94.38 172.11 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.53 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -148.89 139.06 22.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.467 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.2 mp -120.74 130.67 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -85.05 136.23 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.423 HD13 HD13 ' A' ' 95' ' ' LEU . 55.9 mt -108.47 131.95 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.5 mtm -104.15 154.83 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 83' ' ' LEU . 20.5 p -151.09 134.78 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.0 -68.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -110.43 49.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.98 27.79 68.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' THR . 64.8 mt -117.89 145.71 44.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.325 . . . . 0.0 110.973 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 8.0 m-85 -117.77 124.05 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -160.82 139.37 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.714 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -101.23 -13.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.714 HG23 HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -148.48 125.87 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -44.19 -28.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -56.78 -53.32 59.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 29.7 tptt -113.74 140.59 48.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.06 44.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 1.6 m-85 -122.91 168.94 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -87.11 -49.02 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.433 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -132.58 153.45 20.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.423 HD13 HD13 ' A' ' 77' ' ' ILE . 59.8 tp -50.65 -41.78 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.2 m -48.34 -62.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.32 -53.87 38.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 6.7 tt -43.12 -38.8 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.768 HG13 ' CD1' ' A' ' 118' ' ' LEU . 85.7 t -81.6 -46.6 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.62 -5.33 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -96.23 -47.94 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.7 m-85 -53.53 -44.25 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -44.31 -21.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.1 mp0 -106.93 -28.71 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -111.09 112.22 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 t -48.47 131.38 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.932 HD12 ' O ' ' A' ' 116' ' ' THR . 8.8 mt -52.57 -15.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -62.84 -23.59 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.27 -41.81 63.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.8 m -99.45 -59.43 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.514 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 50.7 m-85 -84.59 168.71 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -101.83 -59.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -47.86 -53.9 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.81 103.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.55 ' OD1' ' CZ ' ' A' ' 68' ' ' TYR . 0.6 OUTLIER -104.0 14.33 30.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.932 ' O ' HD12 ' A' ' 107' ' ' LEU . 13.4 t -136.71 156.51 48.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.99 166.9 10.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.768 ' CD1' HG13 ' A' ' 99' ' ' VAL . 43.4 mt -45.78 112.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.37 -51.69 5.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -140.36 134.62 15.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.4 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 53.8 Cg_endo -69.74 178.92 4.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.476 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 1.2 t80 -59.63 -48.95 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.476 ' HG2' ' CD2' ' A' ' 122' ' ' PHE . 14.5 mtpt -72.32 -70.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.488 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 6.1 pt-20 -176.15 152.58 1.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.294 . . . . 0.0 112.332 -179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.838 0.352 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -101.34 135.61 19.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.401 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.9 Cg_endo -69.76 155.23 66.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.508 ' ND2' ' C ' ' A' ' 111' ' ' PHE . 7.2 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.814 ' O ' HG22 ' A' ' 25' ' ' VAL . 34.6 t0 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.872 0.368 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.93 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 27.3 mt -53.28 -20.82 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 p -52.86 -35.6 57.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 22' ' ' ASP . 15.0 m -50.01 -27.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -81.92 153.12 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.96 -3.68 7.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.686 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 19.9 p-90 -137.44 127.59 26.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -149.68 145.77 26.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.98 110.57 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.07 -151.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.0 Cg_endo -69.69 4.31 2.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.483 ' HE1' HD12 ' A' ' 41' ' ' ILE . 12.6 ttp -32.72 133.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.1 pt-20 -69.82 154.19 42.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.4 tmm_? -34.97 -64.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.65 28.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -47.56 -34.59 9.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.543 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -79.29 -51.17 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.65 ' HA ' HG21 ' A' ' 72' ' ' VAL . 41.1 mt-10 -38.49 -54.1 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -50.97 -50.15 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.483 HD12 ' HE1' ' A' ' 33' ' ' MET . 15.2 mt -54.51 -59.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.429 ' CB ' ' HB2' ' A' ' 67' ' ' LYS . 6.5 mt -70.79 -14.59 62.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -76.91 -62.51 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -58.32 -42.25 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 45' ' ' ARG . 1.6 mpt_? -60.21 -174.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -78.0 147.44 34.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.21 104.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.67 -1.83 2.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.42 ' C ' HD22 ' A' ' 42' ' ' LEU . 17.6 m -66.42 156.87 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.122 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CZ ' ' OE1' ' A' ' 103' ' ' GLN . 17.9 p90 -149.81 175.22 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -170.18 177.44 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.686 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 2.4 t -123.14 105.27 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.543 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 12.1 mtm105 -96.88 169.2 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.466 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 29.8 tt0 -126.89 155.15 43.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 39.1 mtt-85 -93.85 156.04 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.0 -35.62 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -45.77 -46.91 15.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -152.77 119.42 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.0 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.05 47.31 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.03 141.7 16.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.93 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 42.5 m-85 -129.77 173.19 10.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.03 141.58 19.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.963 HG13 HD11 ' A' ' 77' ' ' ILE . 49.2 mt -107.25 108.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.486 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 10.5 t -105.82 118.48 36.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.508 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -126.53 142.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 42' ' ' LEU . 15.2 tptm -91.75 125.2 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.435 ' HB2' HG21 ' A' ' 116' ' ' THR . 2.2 t80 -162.76 134.96 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.603 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.0 t-20 71.62 52.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.1 m 44.45 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -149.14 136.32 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' A' ' 39' ' ' GLU . 97.6 t -89.95 124.92 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 47.5 mmtt -106.18 162.97 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.486 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -148.0 144.88 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.442 ' CD1' HD23 ' A' ' 107' ' ' LEU . 36.9 mt -129.91 135.03 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -85.25 128.45 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 64' ' ' ILE . 41.8 mt -104.29 132.17 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 69.4 mtm -96.26 164.41 12.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -137.17 136.45 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.484 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -137.71 109.82 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 48.8 45.69 21.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.63 53.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 80' ' ' ALA . 30.2 mt -106.73 -179.69 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 27.9 m-85 -152.87 120.6 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -158.35 136.42 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.046 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -99.15 -11.97 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.046 HG23 HD12 ' A' ' 86' ' ' ILE . 8.1 p -144.21 136.59 26.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.44 -21.48 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -79.01 -52.55 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.597 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -89.7 151.99 21.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.566 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -155.31 156.58 35.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.597 ' CE1' ' HG3' ' A' ' 90' ' ' LYS . 1.2 m-85 -143.26 173.98 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -95.49 -38.82 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.84 153.71 22.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 62' ' ' PHE . 62.7 tp -51.47 -48.56 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -46.77 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 97' ' ' GLU . 6.6 mp0 -41.47 -45.14 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.482 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.2 tt -55.52 -42.46 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.602 HG21 ' CH2' ' A' ' 28' ' ' TRP . 96.8 t -77.43 -53.67 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.64 -6.88 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 48.8 t80 -94.62 -49.94 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.45 -38.12 65.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.626 ' OE1' ' CZ ' ' A' ' 50' ' ' PHE . 3.5 mt-30 -52.7 -15.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.91 -31.29 7.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 3.6 m-80 -104.45 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -56.63 123.12 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 75' ' ' ILE . 8.4 mp -55.26 -17.27 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.47 -21.31 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.35 -33.99 70.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.35 -60.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.716 ' CE2' HD13 ' A' ' 86' ' ' ILE . 77.5 m-85 -99.53 92.4 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.44 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -46.29 -22.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.2 m -66.48 -52.26 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.12 91.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -85.94 39.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 68' ' ' TYR . 13.7 t -155.45 159.64 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -112.18 170.89 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mp -57.51 111.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.531 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 33.9 mm-40 -88.99 -47.58 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.7 m-85 -145.7 137.81 13.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.442 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.76 -168.09 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.1 -36.1 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -90.05 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.442 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.5 pt-20 -174.75 149.81 1.31 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.89 0.376 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -108.38 128.93 24.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.34 63.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.44 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.4 m-20 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' VAL . 62.3 m-20 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.6 HD21 HD23 ' A' ' 95' ' ' LEU . 17.7 mt -44.95 -25.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -52.37 -46.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 22' ' ' ASP . 21.3 m -39.95 -36.49 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -74.17 155.5 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.1 mt -69.24 -1.34 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CE2' HG11 ' A' ' 99' ' ' VAL . 16.4 p-90 -139.0 125.99 21.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -150.88 147.3 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.97 109.5 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.35 -154.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.2 Cg_endo -69.68 6.55 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.6 ttp -34.41 152.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.37 175.25 8.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 7.4 tmm_? -54.47 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.469 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -46.44 -35.03 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.04 -30.5 77.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.832 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . . . -76.27 -66.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 17.9 mt-10 -41.64 -42.2 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 t -53.99 -44.67 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.51 -71.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.722 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -56.34 -13.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -82.66 -56.48 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -70.42 -32.32 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 7.1 mpt_? -74.08 176.15 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 m -56.58 163.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.76 120.62 21.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.11 6.06 24.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.2 m -66.61 157.86 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.793 ' CG ' HD22 ' A' ' 118' ' ' LEU . 17.0 p90 -152.4 171.58 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.526 HD11 HH21 ' A' ' 53' ' ' ARG . 1.8 pp -170.19 177.43 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.907 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -122.95 121.41 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.832 ' CZ ' ' HB2' ' A' ' 38' ' ' ALA . 3.3 ptp180 -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 50.4 tt0 -91.41 159.17 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 23.5 mtp180 -96.51 141.92 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.0 m -90.29 -37.77 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -45.47 -39.74 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -157.34 115.25 3.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.87 177.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 61' ' ' GLU . . . 60.68 48.6 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 40.6 mt-10 -163.67 122.94 2.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 23' ' ' LEU . 53.0 m-85 -113.7 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 75' ' ' ILE . . . -154.63 161.33 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 mt -128.71 108.25 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.0 m -101.44 125.68 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.529 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -132.16 145.7 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 66' ' ' ILE . 11.4 tptp -91.69 126.38 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -169.95 143.88 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.651 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.42 52.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 45.91 25.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -156.85 152.17 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 39' ' ' GLU . 88.3 t -97.32 123.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.506 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 62.5 mmtt -96.0 155.02 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.506 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.3 m-70 -142.61 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' A' ' 114' ' ' LEU . 48.2 mt -126.89 141.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -94.79 137.59 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 62' ' ' PHE . 49.9 mt -108.02 138.26 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.9 mtm -111.11 146.09 37.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 83' ' ' LEU . 70.7 p -141.7 139.97 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.5 -71.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.9 48.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.16 62.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 93' ' ' ARG . 14.7 mt -117.77 150.46 39.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 1.1 m-85 -121.89 124.93 45.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -159.0 129.9 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.02 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -88.89 -9.87 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.02 HG23 HD12 ' A' ' 86' ' ' ILE . 5.9 p -144.5 164.01 32.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -79.59 -35.73 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.4 -50.97 65.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 7.6 tmtm? -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.53 161.68 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 6.7 m-85 -130.94 171.98 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.535 ' HA ' HD23 ' A' ' 83' ' ' LEU . 22.6 mtt180 -94.96 -38.59 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.27 164.35 25.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.6 HD23 HD21 ' A' ' 23' ' ' LEU . 41.5 tp -58.77 -49.78 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 m -46.14 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -44.52 -52.79 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.6 tt -50.46 -28.93 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.617 HG11 ' CE2' ' A' ' 28' ' ' TRP . 55.7 t -87.58 -48.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.47 -5.25 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 89.3 t80 -94.91 -48.83 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.14 -39.05 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.42 -21.15 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -108.99 -28.2 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.561 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 7.6 m-80 -110.96 112.1 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -55.28 141.41 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.729 ' CD2' HD13 ' A' ' 114' ' ' LEU . 10.1 mp -66.44 -12.76 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -67.37 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.94 -40.52 78.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.62 -42.24 6.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.616 ' HE1' HD13 ' A' ' 86' ' ' ILE . 6.3 m-85 -101.35 169.92 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 -17.26 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 t -86.0 -35.72 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 107' ' ' LEU . 8.9 mt -94.07 102.73 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.32 27.28 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -147.27 155.04 41.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.495 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -112.16 159.81 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.793 HD22 ' CG ' ' A' ' 50' ' ' PHE . 36.3 mt -39.6 105.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 43.5 mt-30 -85.52 -49.25 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 4.4 m-85 -145.2 133.89 10.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -164.03 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.73 -51.24 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 12.5 mmtt -56.68 -69.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -172.37 153.66 2.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 -179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 t -138.74 137.62 20.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.46 49.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.701 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.6 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.849 0.357 . . . . 0.0 110.885 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 HD23 ' A' ' 95' ' ' LEU . 40.1 mt -44.51 -22.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 22' ' ' ASP . 35.1 p -49.61 -41.36 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 22' ' ' ASP . 11.3 m -45.58 -28.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.425 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 98.4 m-70 -80.7 149.7 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.642 HD22 ' OE2' ' A' ' 124' ' ' GLU . 14.8 mt -63.61 -8.57 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.693 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.9 p-90 -132.11 127.17 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -150.1 149.28 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.02 110.79 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.67 -156.11 0.13 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 8.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -34.59 152.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.21 175.63 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 18.5 tpp85 -53.22 -65.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -36.9 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.9 -34.35 89.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.738 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . . . -71.9 -66.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 24.7 mt-10 -41.54 -42.49 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -53.04 -42.39 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.467 HG22 HD13 ' A' ' 42' ' ' LEU . 90.2 mt -63.23 -72.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.719 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -56.48 -12.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -76.97 -63.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -64.5 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -179.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 m -65.57 169.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -79.02 120.92 24.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.19 9.49 23.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.433 HG22 HD12 ' A' ' 42' ' ' LEU . 10.0 m -69.35 157.16 37.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.616 ' CG ' HD22 ' A' ' 118' ' ' LEU . 20.8 p90 -151.44 174.02 13.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.2 pp -169.91 177.28 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.771 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.9 t -124.89 114.78 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.738 ' CZ ' ' HB2' ' A' ' 38' ' ' ALA . 2.6 ptp180 -121.0 142.44 49.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.486 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.4 tt0 -96.48 160.22 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.486 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 1.9 mmp_? -93.61 146.04 24.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -97.96 -31.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -39.0 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.73 105.48 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -47.06 173.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 59' ' ' ALA . . . 71.51 31.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -149.81 119.5 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 54' ' ' GLN . 32.2 m-85 -110.84 172.94 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.15 149.46 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.5 mt -118.04 111.41 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.62 127.13 49.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.478 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.66 142.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 10.0 tptm -85.03 127.87 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HB2' HG21 ' A' ' 116' ' ' THR . 2.9 t80 -167.18 141.91 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.719 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 64.18 50.81 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.92 25.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.474 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 4.0 mm-40 -154.61 146.99 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 39' ' ' GLU . 92.4 t -93.07 120.69 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 56.1 mmtt -94.77 160.95 14.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -146.24 136.2 23.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.538 HG12 ' CE2' ' A' ' 111' ' ' PHE . 38.6 mt -120.54 142.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -93.67 135.64 34.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.83 147.88 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtm -125.29 153.61 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.4 p -145.45 136.81 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.87 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -117.77 45.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.61 22.34 53.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -116.77 135.96 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 3.6 m-85 -107.68 126.1 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -162.3 132.38 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.494 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 5.6 pt -91.95 -18.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -136.85 161.24 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.55 -30.47 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -58.92 -55.02 40.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.2 tmtt? -110.18 140.01 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.481 ' N ' ' HD3' ' A' ' 90' ' ' LYS . . . -134.98 156.4 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 16.2 m-85 -128.81 174.59 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -25.95 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -143.36 128.91 3.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.459 HD23 HD21 ' A' ' 23' ' ' LEU . 22.6 tp -36.53 -49.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.912 0.386 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.425 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 62.3 m -47.59 -59.82 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -50.69 -44.7 57.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 98' ' ' LEU . 8.5 tt -55.15 -28.15 50.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.69 HG13 HD13 ' A' ' 118' ' ' LEU . 94.4 t -91.05 -50.96 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.05 -5.41 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 89.4 t80 -96.49 -50.53 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.61 ' CE1' HD23 ' A' ' 107' ' ' LEU . 2.5 m-85 -50.96 -39.88 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -49.16 -20.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -103.93 -32.03 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.505 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -110.93 111.91 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -49.81 133.65 21.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.61 HD23 ' CE1' ' A' ' 102' ' ' TYR . 12.7 mt -59.71 -20.74 58.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 13.5 pttt -55.6 -24.45 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -54.52 -29.82 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 77.8 m -113.53 -48.5 2.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.538 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.7 m-85 -102.55 94.42 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -23.95 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.3 p -69.11 -32.96 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.514 HD11 ' HD2' ' A' ' 73' ' ' LYS . 3.9 mp -101.77 101.36 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.405 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 10.6 t70 -92.0 29.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.418 HG21 ' HB2' ' A' ' 68' ' ' TYR . 14.8 t -142.34 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -136.83 172.02 13.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.69 HD13 HG13 ' A' ' 99' ' ' VAL . 36.2 mt -51.64 107.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.427 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 77.1 mt-30 -93.73 -47.18 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.5 m-85 -144.62 137.79 13.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.443 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.79 -166.61 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -76.25 -36.24 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -91.38 -64.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.642 ' OE2' HD22 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -175.42 147.0 0.94 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.175 0 C-N-CA 122.727 2.285 . . . . 0.0 112.373 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.853 0.359 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -108.49 141.05 22.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 175.11 8.53 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD11 ' CE1' ' A' ' 62' ' ' PHE . 20.7 mt -45.48 -27.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.0 t -40.89 -44.05 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 26' ' ' HIS . 22.3 m -43.23 -45.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.53 ' N ' HG23 ' A' ' 25' ' ' VAL . 97.8 m-70 -63.62 146.61 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.62 -8.82 3.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.799 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 13.7 p-90 -131.63 127.7 37.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -148.81 142.07 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.82 109.78 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.65 -145.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.75 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 ttp -31.78 120.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . 13.3 pt-20 -72.07 167.26 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.0 tmm_? -35.69 -69.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.16 47.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' HG2' ' A' ' 33' ' ' MET . . . -52.11 -32.75 36.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.759 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -86.86 -56.35 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.708 0.289 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 40.5 mt-10 -43.23 -44.14 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -55.25 -35.25 64.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.477 HG22 HD13 ' A' ' 42' ' ' LEU . 96.7 mt -70.79 -74.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.57 -16.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -69.76 -40.05 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -86.0 -40.37 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 9.0 mmm180 -60.27 168.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 t -58.96 164.32 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.39 112.66 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.16 2.58 10.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.534 HG22 HD12 ' A' ' 42' ' ' LEU . 25.0 m -64.44 156.11 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.688 ' CD2' HD22 ' A' ' 118' ' ' LEU . 17.7 p90 -152.28 174.44 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 65' ' ' SER . 1.6 pp -165.94 175.04 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.939 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -118.13 113.93 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.759 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 22.3 mtm105 -101.64 168.35 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 38.8 tt0 -135.52 158.81 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.6 tpp180 -93.92 127.89 39.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 p -76.48 -31.23 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -58.87 -40.95 85.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.1 128.39 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.37 40.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.07 41.88 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -169.93 173.35 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CE1' HD11 ' A' ' 23' ' ' LEU . 31.0 m-85 -155.1 177.93 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.55 162.0 41.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.85 104.7 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.509 ' HB3' HD11 ' A' ' 51' ' ' LEU . 21.3 t -96.27 140.91 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.511 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -149.61 143.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.449 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.3 tptm -89.69 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -166.71 140.86 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.691 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 63.53 51.58 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 69' ' ' ASN . 6.3 m 47.15 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -152.88 142.12 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.34 118.89 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -98.4 172.78 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -142.73 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.512 HG12 ' CG ' ' B' ' 8' ' ' GLU . 10.6 mt -119.87 115.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -78.89 144.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.465 HD13 HD13 ' A' ' 95' ' ' LEU . 53.8 mt -114.92 137.43 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -105.27 157.51 17.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.4 p -151.64 128.96 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.46 -58.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -115.97 44.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.15 33.48 62.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -122.67 159.05 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -125.62 125.52 43.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -162.57 148.77 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.647 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -108.16 -16.05 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.647 HG23 HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -149.11 130.95 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -46.25 -24.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -61.56 -51.83 66.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.29 143.87 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.84 144.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 98' ' ' LEU . 1.7 m-85 -124.53 170.92 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -22.02 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.35 147.46 17.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.465 HD13 HD13 ' A' ' 77' ' ' ILE . 33.7 tp -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.422 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 37.8 m -48.04 -52.08 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.1 tt -49.78 -33.61 16.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 118' ' ' LEU . 60.0 t -87.97 -42.88 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.17 -6.81 36.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.538 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 74.1 t80 -96.73 -47.48 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -52.55 -39.16 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -51.91 -17.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.76 -12.62 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.538 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 11.7 m-80 -126.24 108.49 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -51.75 152.18 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 117' ' ' THR . 8.9 mp -85.53 -16.39 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -56.28 -17.92 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.32 -49.46 60.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 11' ' ' ASN . 24.8 m -94.45 -46.6 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 21.9 m-85 -91.72 133.33 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -81.53 -43.48 18.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.2 t -65.35 -46.91 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.6 110.77 15.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -109.02 33.47 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 107' ' ' LEU . 14.7 t -153.59 174.76 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.813 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -129.57 166.07 20.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.706 ' CD1' HG13 ' A' ' 99' ' ' VAL . 24.1 mt -46.64 108.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.444 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -89.65 -51.14 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.81 135.22 13.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.81 -169.02 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -72.42 -32.7 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -93.43 -65.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 3.3 pt-20 -172.74 150.53 2.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 0.0 112.38 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.512 ' CG ' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.859 0.361 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -137.54 135.99 19.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.633 0.73 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.55 24.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 110' ' ' CYS . 11.6 m-80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.903 0.383 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 87.8 mt -53.51 -24.35 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -55.09 -35.45 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 22' ' ' ASP . 19.5 m -59.2 -29.91 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -74.56 144.51 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.88 -10.9 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.831 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 27.9 p-90 -130.24 127.02 38.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -149.81 142.43 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.956 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.57 110.24 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 32' ' ' PRO . . . -71.61 -143.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.1 Cg_endo -69.71 5.65 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.657 2.238 . . . . 0.0 112.382 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 41' ' ' ILE . 31.0 ttm -30.7 142.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -83.75 162.36 20.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 13.9 tpt180 -42.84 -57.14 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.72 -41.64 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -60.42 -37.93 93.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.581 ' HB2' ' HD2' ' A' ' 53' ' ' ARG . . . -71.09 -52.77 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.069 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.645 ' HA ' HG11 ' A' ' 72' ' ' VAL . 35.5 mt-10 -58.54 -48.48 80.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -57.07 -39.46 75.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.576 HD12 ' SD ' ' A' ' 33' ' ' MET . 15.2 mt -63.88 -62.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.501 HD22 ' C ' ' A' ' 49' ' ' THR . 3.3 mt -69.85 1.5 4.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -82.97 -41.85 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -75.83 -38.95 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.484 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.8 mmm180 -60.65 -173.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.5 m -83.83 147.29 27.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.64 100.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.91 -7.24 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.501 ' C ' HD22 ' A' ' 42' ' ' LEU . 20.1 m -65.79 146.48 54.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.598 ' CE2' HD13 ' A' ' 118' ' ' LEU . 26.5 p90 -138.37 -179.93 6.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 65' ' ' SER . 1.3 pp -170.57 177.18 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.956 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.48 114.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.581 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 46.1 mtp180 -106.53 160.29 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -120.63 159.12 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -94.87 150.56 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -87.74 -41.61 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -45.45 -41.23 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.35 135.1 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.14 40.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.91 30.41 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -149.68 170.14 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 31.3 m-85 -151.39 177.52 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.83 149.5 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.782 HG13 HD11 ' A' ' 77' ' ' ILE . 42.1 mt -120.46 98.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.487 ' HB3' HD11 ' A' ' 51' ' ' LEU . 12.5 t -97.66 132.87 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.504 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -138.38 142.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 66' ' ' ILE . 7.9 tptp -87.8 120.23 28.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 2.6 t80 -164.16 137.87 5.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.3 t-20 73.46 54.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 69' ' ' ASN . 4.9 m 43.21 26.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -157.77 143.55 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' HA ' ' A' ' 39' ' ' GLU . 97.6 t -92.54 116.84 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.557 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 31.7 mmtt -95.01 161.56 14.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.581 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -146.02 146.19 30.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 17.5 mt -135.11 140.32 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -85.21 152.45 23.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.782 HD11 HG13 ' A' ' 64' ' ' ILE . 82.4 mt -123.26 124.43 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 49.0 mtm -91.14 168.72 11.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -142.46 135.58 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.54 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -135.55 112.25 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 46.18 46.84 13.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.97 24.84 51.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.638 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 22.2 mt -106.93 -179.47 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 16.5 m-85 -153.91 125.78 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.21 130.46 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.66 HG22 HG12 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -84.68 -16.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 p -150.58 133.35 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -48.93 -24.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -57.52 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -117.47 147.33 42.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.567 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -131.2 164.24 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.799 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.6 m-85 -146.34 173.74 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -91.51 -40.23 11.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.563 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -141.83 161.19 27.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.504 HD21 HG11 ' A' ' 52' ' ' VAL . 46.6 tp -54.47 -43.0 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.5 m -59.26 -62.3 1.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -41.74 -42.42 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.799 HD12 ' CD1' ' A' ' 92' ' ' PHE . 10.6 tt -67.78 -32.51 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 28' ' ' TRP . 15.3 t -78.82 -56.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.74 -6.09 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.516 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 82.4 t80 -94.4 -46.16 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.3 m-85 -56.24 -35.51 67.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 99' ' ' VAL . 60.5 mt-30 -50.59 -17.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.09 -36.55 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.516 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -104.79 112.83 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -47.25 135.91 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 102' ' ' TYR . 37.2 mt -56.81 -20.31 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -58.05 -23.44 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.37 -35.9 52.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.2 m -112.31 -60.67 1.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -93.4 105.58 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -50.91 -48.02 60.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.9 p -42.75 -55.24 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' B' ' 8' ' ' GLU . 4.5 mm? -75.89 97.08 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 54.1 m-20 -92.35 23.49 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -146.22 164.48 32.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 163.03 16.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.598 HD13 ' CE2' ' A' ' 50' ' ' PHE . 18.6 mt -42.01 107.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.437 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 29.2 mm-40 -86.62 -51.12 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 6.0 m-85 -143.78 140.44 17.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.1 Cg_endo -69.78 174.24 9.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.36 -52.23 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -66.84 -72.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.414 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 7.3 pt-20 -175.69 140.53 0.59 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.95 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.449 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.0 mm-40 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.848 0.356 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -101.81 132.72 21.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 159.37 53.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' HG22 ' A' ' 25' ' ' VAL . 15.0 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 95' ' ' LEU . 42.0 mt -48.74 -23.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.6 t -48.4 -41.33 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 26' ' ' HIS . 33.9 m -47.09 -44.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.494 ' N ' HG23 ' A' ' 25' ' ' VAL . 96.5 m-70 -66.5 153.08 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 10.8 mt -66.46 -6.97 16.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.9 p-90 -132.01 126.04 32.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -150.34 136.89 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.962 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.83 109.97 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.17 -148.47 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.74 6.18 1.4 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 13.6 ttp -30.33 144.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.28 160.45 30.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.55 ' NE ' ' CE1' ' A' ' 74' ' ' HIS . 10.3 tpt180 -44.36 -61.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.38 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -65.68 -30.39 77.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.574 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -86.85 -65.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HA ' HG11 ' A' ' 72' ' ' VAL . 42.9 mt-10 -37.19 -47.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -54.4 -42.21 70.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 HD13 ' A' ' 42' ' ' LEU . 97.3 mt -59.85 -71.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.706 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -55.41 -16.19 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -79.8 -58.87 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.2 -32.0 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.48 175.89 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -59.4 159.55 7.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.33 116.28 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.25 5.75 12.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 50' ' ' PHE . 19.5 m -66.98 160.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.745 ' CE2' HD13 ' A' ' 118' ' ' LEU . 14.9 p90 -157.84 167.25 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 pp -163.62 177.11 9.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.962 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.2 t -118.88 115.92 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 10.8 mtm180 -103.3 169.96 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -134.54 148.98 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -94.23 159.64 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.56 -7.06 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -75.62 -52.11 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.9 m-20 -134.57 109.13 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.84 -58.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 74.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -169.11 134.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 23' ' ' LEU . 62.6 m-85 -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.13 156.79 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.923 HG13 HD11 ' A' ' 77' ' ' ILE . 40.5 mt -122.22 105.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -101.36 122.37 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.444 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.22 141.57 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.486 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 12.2 tptm -84.28 129.49 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -170.14 136.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.674 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 70.96 51.64 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.56 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.486 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 30.0 mm-40 -156.63 147.64 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 39' ' ' GLU . 45.5 t -89.27 121.32 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.638 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 34.2 mmtt -95.23 163.65 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.638 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -147.52 142.78 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.468 HG12 ' CE2' ' A' ' 111' ' ' PHE . 44.7 mt -126.47 146.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -90.66 138.53 31.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.923 HD11 HG13 ' A' ' 64' ' ' ILE . 66.5 mt -119.94 108.08 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -85.05 162.29 19.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.9 p -136.5 133.64 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -124.86 113.31 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 44.03 48.04 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.11 52.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.538 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.596 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 18.1 mt -107.37 -179.41 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 7.8 m-85 -150.58 120.89 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -158.74 139.7 12.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.446 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 6.8 pt -95.37 -19.15 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 p -130.86 162.94 28.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.44 -31.05 57.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -73.87 -49.31 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.5 tppt? -93.71 149.57 21.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.73 157.5 38.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.076 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.467 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -135.77 173.36 11.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -93.9 -40.5 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.04 159.1 24.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 19.9 tp -59.06 -39.22 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.7 m -53.75 -68.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -43.93 -48.83 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.2 tt -48.22 -37.51 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.721 HG13 ' CD1' ' A' ' 118' ' ' LEU . 65.7 t -85.31 -49.9 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.37 -5.55 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.589 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 54.7 t80 -95.45 -46.8 6.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.683 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.9 m-85 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -40.78 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' TYR . 1.9 mp0 -104.1 -28.55 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.589 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 9.0 m-80 -108.95 112.36 24.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.4 t -51.95 131.12 30.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.683 HD23 ' CE1' ' A' ' 102' ' ' TYR . 36.3 mt -56.05 -16.94 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.418 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 10.0 pttp -61.78 -24.82 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.32 -44.78 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.88 -61.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 75' ' ' ILE . 34.8 m-85 -87.49 160.75 18.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -95.27 -45.94 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -56.97 -54.12 50.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 73' ' ' LYS . 4.2 mm? -68.55 91.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.418 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 24.3 t70 -95.84 25.64 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 t -147.56 160.22 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.57 166.41 11.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 50' ' ' PHE . 24.5 mt -45.47 107.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 28.6 mm-40 -87.15 -55.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.511 ' CD1' ' HB3' ' A' ' 125' ' ' PRO . 2.7 m-85 -140.16 131.25 14.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.662 0.744 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.96 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.416 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 1.9 t80 -81.02 -45.72 16.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.71 -67.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.97 155.43 2.39 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.278 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.865 0.364 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -89.85 141.74 28.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 155.02 66.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' SER . 70.7 m-20 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 17.2 mt -39.86 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 15.5 m -45.58 -43.79 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 26' ' ' HIS . 25.6 m -42.32 -44.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.458 ' N ' HG23 ' A' ' 25' ' ' VAL . 99.5 m-70 -62.96 157.09 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 15.5 mt -71.6 1.54 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.493 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 8.7 p-90 -142.65 126.02 16.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -150.45 148.32 28.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.895 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.71 109.86 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.29 -148.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.3 Cg_endo -69.84 3.74 2.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.0 ttm -33.06 146.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . 8.8 pt-20 -99.18 165.06 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLU . 5.9 tmm_? -34.17 -69.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -44.82 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.55 53.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 -46.65 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' ALA . 22.7 mt-10 -42.64 -54.79 3.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 11.8 t -47.71 -49.63 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mt -52.67 -49.24 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.11 -6.54 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -85.19 -50.66 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -74.07 -39.26 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -178.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -64.78 162.08 16.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 116.84 16.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.06 4.69 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 50' ' ' PHE . 13.7 m -64.75 161.31 18.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 18.2 p90 -153.26 169.71 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -169.96 176.91 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.895 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -123.8 121.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -122.52 150.11 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.485 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 39.8 tt0 -101.62 158.53 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.8 mtp180 -95.24 168.12 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.1 t -100.05 -50.67 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -43.7 -43.01 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -132.73 124.03 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.89 -63.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.46 78.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -169.14 123.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 47.0 m-85 -117.44 169.22 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.91 135.13 12.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.534 HG13 HD11 ' A' ' 77' ' ' ILE . 32.2 mt -99.52 124.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t -115.13 117.6 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.485 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -126.95 139.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -87.48 127.4 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -165.46 147.06 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.9 t-20 62.94 50.65 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.95 25.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.4 145.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.439 HG11 ' HG2' ' A' ' 39' ' ' GLU . 60.2 t -92.58 118.87 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' CB ' HD21 ' A' ' 114' ' ' LEU . 20.6 mmtp -96.9 168.83 10.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -149.56 140.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.61 131.9 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -87.18 134.26 33.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.534 HD11 HG13 ' A' ' 64' ' ' ILE . 35.5 mt -110.27 142.16 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.4 mtm -113.87 154.12 28.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.1 p -143.69 112.12 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.129 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.49 -72.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -112.25 51.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.24 24.84 70.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 92' ' ' PHE . 48.8 mt -115.86 162.31 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 1.2 m-85 -131.39 128.93 40.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -162.31 137.53 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.555 HD13 ' OH ' ' A' ' 102' ' ' TYR . 4.9 pt -87.98 -24.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' B' ' 10' ' ' PRO . 7.3 p -146.2 135.81 23.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.97 -23.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -59.26 -52.4 65.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.59 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 4.4 tmtt? -117.86 137.22 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -130.6 152.78 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CE1' ' HD2' ' A' ' 90' ' ' LYS . 2.2 m-85 -125.71 172.04 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -90.17 -46.26 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.432 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.28 155.99 24.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 21.7 tp -50.51 -47.33 57.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.9 m -45.49 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.06 -42.04 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.502 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 6.4 tt -54.58 -42.52 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 28' ' ' TRP . 59.5 t -77.52 -45.11 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.29 -5.64 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.614 ' CZ ' ' CG ' ' A' ' 105' ' ' ASN . 67.4 t80 -97.28 -49.67 4.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.555 ' OH ' HD13 ' A' ' 86' ' ' ILE . 2.3 m-85 -49.33 -47.8 46.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.08 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.9 mp0 -104.8 -32.93 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.614 ' CG ' ' CZ ' ' A' ' 101' ' ' PHE . 1.6 m-80 -104.94 113.75 27.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.414 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 92.4 p -54.34 143.62 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.574 HD13 ' HA ' ' A' ' 117' ' ' THR . 10.9 mp -72.44 -16.49 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -61.56 -26.57 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.05 -51.28 24.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.48 -32.69 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.1 m-85 -110.0 77.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -33.68 -46.4 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -48.59 -55.42 11.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.503 ' CD2' ' CD ' ' B' ' 8' ' ' GLU . 3.5 mm? -72.58 92.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 5.2 t70 -89.81 44.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -168.45 174.44 6.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.574 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -127.6 174.12 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HG ' ' CG ' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -57.24 104.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.464 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 21.5 mm-40 -85.46 -48.7 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.3 m-85 -143.04 130.47 10.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.427 ' CA ' ' CE1' ' A' ' 50' ' ' PHE . 53.5 Cg_endo -69.75 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -79.71 -44.16 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 4.5 mmpt? -72.85 -70.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -173.01 149.4 1.78 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.503 ' CD ' ' CD2' ' A' ' 114' ' ' LEU . 44.5 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.883 0.373 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.9 p -102.4 147.27 33.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.482 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.9 Cg_endo -69.7 148.09 64.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 25' ' ' VAL . 65.7 m-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.803 0.335 . . . . 0.0 110.885 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 ' CE1' ' A' ' 62' ' ' PHE . 15.4 mt -54.37 -26.87 32.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' VAL . 16.2 p -44.33 -48.34 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 22' ' ' ASP . 7.5 m -37.33 -36.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.409 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 99.3 m-70 -73.75 146.33 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.48 HD22 ' OE2' ' A' ' 124' ' ' GLU . 9.4 mt -60.64 -9.49 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.909 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 24.1 p-90 -131.82 128.46 38.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -148.17 141.63 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.925 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -152.75 110.34 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.87 -152.51 1.38 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.72 5.0 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.2 ttp -30.57 140.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.67 156.1 38.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.626 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 16.7 tpp85 -41.13 -60.84 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -38.71 51.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.463 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -51.87 -35.07 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.434 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -79.21 -58.26 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.696 ' HA ' HG21 ' A' ' 72' ' ' VAL . 30.0 mt-10 -35.78 -57.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -50.47 -47.8 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 42' ' ' LEU . 20.8 mt -56.97 -64.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD21 ' HG ' ' A' ' 51' ' ' LEU . 5.6 mt -66.74 -7.9 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -95.4 -30.67 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -88.73 -36.49 16.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -59.14 -75.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -175.57 179.16 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -85.24 101.2 12.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.52 -4.69 5.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 m -65.01 154.87 36.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.6 ' CG ' HD22 ' A' ' 118' ' ' LEU . 28.0 p90 -148.14 175.63 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 42' ' ' LEU . 1.1 pp -169.56 177.12 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.925 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.4 t -119.33 112.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 53' ' ' ARG . 20.7 mtm105 -99.88 167.2 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.1 tt0 -123.62 158.26 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.9 tpp180 -93.85 156.64 16.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 94.7 t -95.66 -37.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -51.1 -58.38 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.8 123.43 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . -45.53 -49.6 13.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 59' ' ' ALA . 7.1 mt-10 -169.18 161.51 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.645 ' CE1' HD11 ' A' ' 23' ' ' LEU . 44.7 m-85 -159.01 175.57 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -154.66 161.7 41.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mt -128.14 100.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.477 ' HB3' HD11 ' A' ' 51' ' ' LEU . 11.3 t -96.57 129.19 44.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.481 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.64 142.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.9 tptm -89.27 121.64 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -163.85 139.51 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.2 t-20 67.46 54.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.06 25.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ASN . 29.3 mm-40 -151.14 132.77 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.696 HG21 ' HA ' ' A' ' 39' ' ' GLU . 93.7 t -86.24 114.4 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.543 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 4.7 mmmt -94.89 170.86 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.626 ' CE1' ' CD ' ' A' ' 35' ' ' ARG . 2.0 m-70 -151.35 143.92 24.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.3 mp -125.63 129.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.2 ttpm? -81.61 150.08 28.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.437 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 89.8 mt -121.08 135.89 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtm -106.05 154.14 21.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 83' ' ' LEU . 54.6 p -147.54 150.92 35.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.76 -73.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.93 12.63 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.15 11.78 4.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.0 mm? -93.32 168.09 11.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 5.0 m-85 -139.37 120.82 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -159.3 137.49 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.655 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 28.7 pt -86.58 -25.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.2 p -137.49 167.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -72.21 -35.58 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -62.47 -55.59 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 12.0 tppt? -88.34 151.84 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.505 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -156.67 160.4 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 5.3 m-85 -145.55 171.57 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -20.99 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.7 141.83 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 23' ' ' LEU . 48.4 tp -52.81 -43.81 66.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.409 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 19.2 m -50.69 -50.11 55.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.11 -44.87 90.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.8 tt -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 118' ' ' LEU . 97.4 t -92.83 -46.91 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -65.87 -5.38 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.508 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 77.8 t80 -98.58 -47.2 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.433 ' OH ' ' CD1' ' A' ' 86' ' ' ILE . 4.8 m-85 -51.93 -31.97 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.468 ' HB2' ' NE2' ' A' ' 104' ' ' GLN . 68.5 mt-30 -54.52 -21.38 9.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.468 ' NE2' ' HB2' ' A' ' 103' ' ' GLN . 0.3 OUTLIER -102.65 -34.98 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -104.77 113.8 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -55.52 131.73 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.83 -15.07 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 5.5 ptmt -60.0 -16.94 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -63.34 -34.92 78.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . 0.433 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 56.4 m -109.62 -50.28 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.655 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.72 97.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -51.8 -26.63 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 5.1 t -68.8 -49.03 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.18 104.87 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 57.2 m-20 -98.03 21.59 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.5 t -141.23 160.98 38.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -118.69 170.49 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.777 ' CD1' HG13 ' A' ' 99' ' ' VAL . 34.5 mt -47.6 108.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.575 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.5 mt-30 -90.59 -48.33 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.6 m-85 -145.44 138.65 14.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.44 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.76 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -70.76 -41.64 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 22.8 mttp -81.75 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.48 ' OE2' HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -175.16 150.68 1.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.696 0.76 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.748 2.298 . . . . 0.0 112.35 179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.871 0.367 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.3 p -115.22 142.05 28.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 17.2 m-80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.428 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.836 0.35 . . . . 0.0 110.893 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 19.1 mt -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' ASP . 65.2 p -43.62 -40.49 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 26' ' ' HIS . 24.5 m -47.2 -43.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.451 ' N ' HG23 ' A' ' 25' ' ' VAL . 99.7 m-70 -62.74 156.67 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.46 HD13 ' O ' ' A' ' 124' ' ' GLU . 8.9 mt -72.85 0.52 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.674 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 14.6 p-90 -141.36 126.61 18.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -149.6 151.28 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.46 111.04 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.9 -150.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.8 3.38 2.82 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.242 . . . . 0.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.493 ' CE ' HD12 ' A' ' 41' ' ' ILE . 4.0 ttp -33.26 140.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 15.2 pt-20 -89.2 167.7 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' GLU . 4.5 tmm_? -36.12 -68.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.57 -48.92 57.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.19 -31.24 6.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -84.27 -52.54 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.545 ' HA ' HG11 ' A' ' 72' ' ' VAL . 28.1 mt-10 -37.69 -55.3 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -47.45 -46.72 26.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.493 HD12 ' CE ' ' A' ' 33' ' ' MET . 25.6 mt -58.6 -58.98 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 2.8 mt -74.54 -4.55 37.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -83.68 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -63.05 -44.07 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -56.33 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -68.33 141.16 55.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.16 106.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 132.37 1.85 4.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.1 m -64.63 165.08 10.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' N ' HG22 ' A' ' 49' ' ' THR . 21.7 p90 -155.44 170.88 20.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -169.84 175.66 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.683 HG11 HD21 ' A' ' 95' ' ' LEU . 2.6 t -123.2 106.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 5.9 ptt-85 -111.68 152.57 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 44.4 tt0 -97.6 160.43 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 4.0 mtt-85 -93.58 168.11 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.0 m -105.57 -16.32 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.23 -43.81 49.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -133.73 116.28 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.28 -61.05 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.2 74.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.08 124.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 45.7 m-85 -110.6 172.41 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.3 145.5 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 98' ' ' LEU . 17.5 mt -109.76 123.23 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.483 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 6.4 t -117.8 117.92 30.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -128.64 137.84 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 14.1 tptm -85.58 137.94 32.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.518 ' CD2' HD23 ' A' ' 114' ' ' LEU . 3.6 t80 -175.38 138.9 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.698 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.19 49.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.51 26.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -151.28 135.53 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' ' 39' ' ' GLU . 46.6 t -92.09 118.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 51.0 mmtt -98.45 172.21 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.483 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 3.6 m-70 -150.95 146.41 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.557 HD11 HD23 ' A' ' 107' ' ' LEU . 87.0 mt -122.19 127.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 119.56 26.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 62' ' ' PHE . 35.9 mt -93.5 147.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.6 mtm -116.82 149.41 40.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.0 p -145.01 126.45 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.45 -72.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -107.48 49.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.13 29.34 66.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 93' ' ' ARG . 13.6 mt -121.25 147.48 45.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -121.02 126.99 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -161.66 146.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.017 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -106.48 -12.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 1.017 HG23 HD12 ' A' ' 86' ' ' ILE . 3.0 p -144.18 168.0 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.12 -26.31 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.88 -54.17 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -93.72 142.69 27.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.1 140.56 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.7 m-85 -123.23 172.0 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.403 ' HA ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -108.82 -24.57 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.1 139.78 9.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.683 HD21 HG11 ' A' ' 52' ' ' VAL . 18.7 tp -50.18 -39.29 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.8 m -52.89 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.94 -46.84 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.42 HD22 HD11 ' A' ' 64' ' ' ILE . 6.7 tt -49.31 -40.81 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.603 HG13 HD23 ' A' ' 118' ' ' LEU . 95.8 t -80.44 -51.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.56 -6.98 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.506 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 50.6 t80 -94.78 -50.26 5.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 104' ' ' GLN . 1.4 m-85 -50.51 -46.4 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -44.99 -21.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 102' ' ' TYR . 5.9 mt-30 -104.16 -34.79 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.88 112.89 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.401 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 4.8 t -50.29 141.49 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' ' 117' ' ' THR . 10.4 mp -68.87 -17.28 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 20.3 pttt -60.89 -21.93 63.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.81 -48.24 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.12 -41.05 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.907 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 10.8 m-85 -112.02 86.78 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.484 ' HZ2' ' H ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -47.04 -22.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -63.1 -49.18 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.615 HD12 ' HG3' ' B' ' 8' ' ' GLU . 2.6 mt -88.64 118.65 28.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.429 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 10.6 t70 -104.29 32.76 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -148.65 157.11 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.839 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.81 173.91 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.603 HD23 HG13 ' A' ' 99' ' ' VAL . 1.6 mp -54.29 103.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -84.81 -48.66 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.81 136.17 13.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . 0.471 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.0 Cg_endo -69.79 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 2.0 t80 -82.47 -34.84 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 18.2 mtpt -91.03 -67.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 31.3 mt-10 -163.33 144.73 7.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.615 ' HG3' HD12 ' A' ' 114' ' ' LEU . 5.6 mm-40 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -111.19 138.8 21.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.5 53.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 112' ' ' LYS . 5.1 m-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' HG22 ' A' ' 25' ' ' VAL . 6.7 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.873 0.368 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.424 HD21 HD23 ' A' ' 95' ' ' LEU . 15.2 mt -53.18 -21.66 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -48.75 -33.24 9.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 22' ' ' ASP . 27.4 m -52.43 -35.05 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -74.0 153.51 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.4 mt -67.52 -9.96 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.542 ' CE2' HG11 ' A' ' 99' ' ' VAL . 7.9 p-90 -128.3 125.43 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -151.14 148.12 27.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -155.3 109.39 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 -151.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.2 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.553 ' CE ' HD12 ' A' ' 41' ' ' ILE . 6.6 ttp -32.28 146.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' ARG . 9.7 pt-20 -91.51 162.58 14.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -33.79 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.31 -45.35 45.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -51.65 -37.63 42.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.09 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.674 ' HA ' HG11 ' A' ' 72' ' ' VAL . 25.8 mt-10 -56.47 -53.04 62.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -44.21 -47.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.553 HD12 ' CE ' ' A' ' 33' ' ' MET . 41.7 mt -60.93 -62.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 49' ' ' THR . 2.1 mt -73.1 2.86 6.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -92.95 -17.99 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -124.69 -21.4 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.554 ' HG2' HG21 ' A' ' 49' ' ' THR . 1.6 tpt85 -55.14 -72.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 t -175.76 174.53 2.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -82.81 97.55 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.87 1.62 8.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.554 HG21 ' HG2' ' A' ' 45' ' ' ARG . 14.3 m -65.16 151.3 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' A' ' 118' ' ' LEU . 10.4 p90 -147.09 174.49 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 pp -169.28 177.13 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.649 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -123.21 107.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 63' ' ' ALA . 4.1 ptm180 -108.73 142.86 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -83.14 160.16 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -96.5 149.07 22.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.67 -33.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.478 ' OD2' ' HB3' ' A' ' 60' ' ' ALA . 32.7 t70 -149.34 136.68 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -22.88 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.478 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . . . -97.79 53.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 5.3 mm-40 -155.87 128.31 7.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -117.56 176.09 5.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB3' ' HG3' ' A' ' 53' ' ' ARG . . . -152.59 150.21 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.526 HG13 HD11 ' A' ' 77' ' ' ILE . 52.9 mt -116.46 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.634 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 3.4 t -95.34 128.67 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.477 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.81 143.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.442 ' N ' HG12 ' A' ' 66' ' ' ILE . 11.2 tptm -89.73 120.04 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.411 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 2.1 t80 -161.46 134.7 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' GLU . 1.8 t-20 73.0 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 40.64 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ASN . 19.9 mt-10 -152.75 134.77 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.674 HG11 ' HA ' ' A' ' 39' ' ' GLU . 25.6 t -87.5 117.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.631 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 5.1 mmmt -96.8 171.03 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.634 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 2.7 m-70 -151.35 144.84 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.4 mt -132.15 138.58 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 22.6 ttmt -84.36 149.61 25.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.526 HD11 HG13 ' A' ' 64' ' ' ILE . 96.8 mt -117.54 131.56 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 44.0 mtm -92.38 169.83 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.2 p -149.95 119.44 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.489 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -129.08 111.48 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 50.38 44.51 26.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.21 21.39 58.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 29.6 mt -100.68 177.42 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 17.7 m-85 -154.75 124.0 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -160.29 142.6 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.756 HD11 ' OH ' ' A' ' 102' ' ' TYR . 44.9 pt -97.22 -15.11 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 p -137.76 166.46 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 1.3 pm0 -80.57 -29.52 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.76 -55.3 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -92.3 149.91 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.633 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -148.92 163.44 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -146.58 173.26 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -93.45 -46.46 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -128.39 160.18 22.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.458 HD21 HG11 ' A' ' 52' ' ' VAL . 24.2 tp -60.83 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 m -54.76 -70.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 12.6 mm-40 -44.94 -49.29 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.0 tt -47.45 -35.94 9.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 28' ' ' TRP . 84.2 t -90.17 -57.22 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.12 -10.26 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.517 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 92.3 t80 -95.36 -47.17 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' TYR . . . . . 0.756 ' OH ' HD11 ' A' ' 86' ' ' ILE . 2.2 m-85 -56.44 -27.09 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.724 ' HG2' HD12 ' A' ' 118' ' ' LEU . 4.3 mt-30 -63.48 -7.75 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -115.94 -33.36 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -105.78 113.66 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -51.76 133.25 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 117' ' ' THR . 9.3 mp -70.56 -8.32 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -60.63 -16.72 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -33.59 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.6 m -102.93 -50.81 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.723 ' HE2' HD12 ' A' ' 86' ' ' ILE . 97.5 m-85 -106.14 98.61 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -48.8 -28.04 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 43.6 t -67.48 -48.5 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.431 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 3.8 mm? -80.18 86.44 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 32.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -153.05 164.63 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.416 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.71 161.05 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.849 HD13 ' CE2' ' A' ' 50' ' ' PHE . 30.9 mt -42.99 112.44 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.553 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 20.3 mt-30 -89.38 -53.68 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.3 m-85 -144.54 135.69 12.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -168.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.8 OUTLIER -79.95 -46.08 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.02 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 125' ' ' PRO . 0.4 OUTLIER -176.13 154.79 1.43 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 53.8 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.36 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' GLU . . . . . 0.422 ' CD ' HD21 ' A' ' 114' ' ' LEU . 32.5 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.859 0.362 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -111.54 130.61 22.93 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.732 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.98 69.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.262 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t 63.74 41.93 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.85 0.357 . . . . 0.0 110.868 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.3 p -143.37 171.83 13.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.94 105.48 0.35 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.48 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -53.31 164.55 0.45 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -102.89 140.32 37.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.833 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.0 158.81 31.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.5 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -128.65 -33.02 2.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.764 0.316 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 8' ' ' LYS . . . 48.1 37.8 8.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.069 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -88.38 108.62 19.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.23 117.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -96.29 97.9 9.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -141.82 110.34 6.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.502 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 8.6 m-80 -110.02 91.2 3.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.829 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -104.59 44.08 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.502 ' CE2' ' HB3' ' A' ' 14' ' ' ASN . 0.3 OUTLIER -100.19 168.91 9.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -132.94 81.82 1.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 50.93 75.24 0.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.515 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 139.52 40.41 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.637 2.225 . . . . 0.0 112.394 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.3 Cg_endo -69.72 -177.55 1.91 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.722 2.282 . . . . 0.0 112.367 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' PRO . 25.2 tp60 -36.22 137.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.654 ' O ' HG22 ' A' ' 25' ' ' VAL . 7.8 t70 -171.97 153.38 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD11 ' CE1' ' A' ' 62' ' ' PHE . 28.4 mt -41.05 -26.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 22' ' ' ASP . 10.7 m -45.27 -44.12 11.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 22' ' ' ASP . 12.6 m -42.83 -37.75 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.483 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 97.3 m-70 -73.56 150.61 41.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD13 ' O ' ' A' ' 124' ' ' GLU . 8.7 mt -65.13 -5.75 7.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.96 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 18.5 p-90 -134.75 127.82 31.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -148.98 145.5 27.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.973 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.909 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.76 111.02 3.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.52 -148.0 0.19 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.551 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.81 4.54 2.15 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.476 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.9 ttp -32.28 142.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -84.25 179.73 7.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.479 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 20.1 tpp85 -52.3 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.41 -42.51 22.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.13 -37.67 81.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.526 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.33 -47.61 14.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.809 0.338 . . . . 0.0 111.092 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 43' ' ' ALA . 34.2 mt-10 -51.21 -57.0 9.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -49.12 -41.95 37.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 mt -61.33 -51.7 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.512 HD23 HG22 ' A' ' 49' ' ' THR . 3.3 mt -82.29 -5.47 58.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -91.36 -42.8 10.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.052 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 m-80 -79.31 -37.41 37.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.411 ' N ' ' HD2' ' A' ' 45' ' ' ARG . 3.7 mpt_? -65.24 -176.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.2 m -68.21 153.44 43.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.7 115.34 5.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.45 7.37 9.96 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.512 HG22 HD23 ' A' ' 42' ' ' LEU . 27.9 m -69.51 157.98 36.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.333 . . . . 0.0 111.18 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.737 ' CG ' HD22 ' A' ' 118' ' ' LEU . 17.6 p90 -152.44 172.5 16.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 pp -169.86 176.93 4.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.917 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.909 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -122.26 114.77 43.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.429 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 10.4 ptt85 -116.31 154.94 29.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 19.8 tt0 -108.11 152.38 24.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.497 ' NE ' ' O2P' ' B' ' 7' ' ' PTR . 27.5 ttt180 -93.97 165.21 12.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.5 m -91.69 -37.75 9.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.4 mtmt -44.67 -57.46 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -128.09 114.11 16.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -40.12 -46.47 2.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.066 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -81.91 63.16 6.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -147.11 124.88 11.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.648 ' CE1' HD11 ' A' ' 23' ' ' LEU . 40.7 m-85 -116.71 164.53 14.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 53' ' ' ARG . . . -150.75 137.71 19.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.88 HG13 HD11 ' A' ' 77' ' ' ILE . 51.7 mt -102.04 111.41 31.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.483 ' HG ' ' CG ' ' A' ' 74' ' ' HIS . 5.0 t -107.3 118.96 38.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.495 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -129.83 143.14 41.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 15.4 tptm -87.9 127.32 35.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -166.06 144.77 5.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.728 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 64.93 49.46 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.728 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 48.25 25.48 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -153.84 148.0 25.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.468 HG11 ' HA ' ' A' ' 39' ' ' GLU . 34.4 t -90.31 121.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.523 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 18.9 mmtp -101.48 157.91 16.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.523 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.6 m-70 -143.12 152.61 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.446 HD13 ' HE2' ' A' ' 111' ' ' PHE . 23.1 mt -134.42 141.67 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.1 tttt -92.81 117.7 30.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.88 HD11 HG13 ' A' ' 64' ' ' ILE . 69.0 mt -93.79 136.25 25.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 8.8 mtt -94.05 169.5 10.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.1 p -147.33 116.12 6.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.561 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -120.74 113.38 20.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 43.33 47.84 5.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.07 23.5 55.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.45 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.561 HD12 ' O ' ' A' ' 80' ' ' ALA . 19.2 mt -104.68 -179.35 3.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.797 0.332 . . . . 0.0 110.968 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.558 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 15.7 m-85 -155.54 123.38 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.958 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -160.1 143.19 13.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.812 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -108.58 -11.39 11.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.812 HG23 HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -129.81 166.2 20.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -84.56 -32.8 23.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -74.63 -47.76 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -94.7 150.34 20.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.903 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.67 137.28 15.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.052 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 1.1 m-85 -116.53 173.62 6.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.526 ' HA ' HD23 ' A' ' 83' ' ' LEU . 6.7 ppt_? -104.14 -32.77 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.422 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -134.75 153.28 21.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.447 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.446 HD23 HD21 ' A' ' 23' ' ' LEU . 10.6 tp -61.76 -46.36 89.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.483 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 39.2 m -52.15 -49.39 63.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -58.64 -46.7 86.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.465 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.5 tt -55.87 -32.49 63.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 118' ' ' LEU . 96.1 t -81.79 -53.44 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -64.22 -5.66 5.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.516 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 84.4 t80 -94.7 -44.59 7.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -58.98 -36.04 74.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -52.85 -19.08 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -108.69 -29.13 8.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.909 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 11.4 m-80 -108.91 111.32 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.3 m -54.22 128.68 32.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.636 HD13 ' HA ' ' A' ' 117' ' ' THR . 8.0 mp -57.18 -14.53 4.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.971 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -56.92 -27.17 60.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.934 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -58.73 -48.21 81.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' B' ' 11' ' ' ASN . 91.8 m -94.82 -52.24 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.536 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 29.9 m-85 -99.73 71.22 1.68 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.465 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.1 OUTLIER -33.3 -36.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.941 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 111' ' ' PHE . 48.0 t -55.12 -53.2 58.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 111' ' ' PHE . 6.3 mp -81.82 94.65 7.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -84.65 35.3 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -150.67 157.03 42.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.146 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.636 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.1 OUTLIER -116.78 166.63 11.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.737 HD22 ' CG ' ' A' ' 50' ' ' PHE . 53.1 mt -44.65 106.38 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.529 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.9 mt-30 -89.81 -47.64 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.0 m-85 -144.67 135.17 12.05 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.614 0.721 . . . . 0.0 110.851 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.462 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.0 Cg_endo -69.74 -162.83 0.1 OUTLIER 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.681 2.254 . . . . 0.0 112.358 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -82.41 -43.24 17.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.516 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 38.2 mttt -82.4 -69.26 0.64 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.569 ' O ' HD13 ' A' ' 27' ' ' LEU . 39.7 mt-10 -162.74 145.37 8.38 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.626 0.727 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo -69.74 -168.62 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.659 2.239 . . . . 0.0 112.332 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.412 ' HB2' HG22 ' A' ' 130' ' ' ILE . 0.8 OUTLIER -113.65 177.23 4.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' CD ' ' HB2' ' A' ' 128' ' ' ARG . 0.0 OUTLIER -150.19 163.05 39.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.415 ' HB2' ' CD ' ' A' ' 127' ' ' LYS . 20.9 tpp180 59.0 40.82 21.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.411 ' C ' ' O ' ' A' ' 128' ' ' ARG . 1.7 m 35.05 48.15 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.179 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.462 HD13 ' N ' ' A' ' 131' ' ' SER . 0.0 OUTLIER -72.79 127.77 35.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.462 ' N ' HD13 ' A' ' 130' ' ' ILE . 15.9 m -154.57 158.08 39.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -121.59 104.91 9.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -65.95 157.99 29.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.85 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -114.59 87.72 0.45 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 121.42 8.12 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.677 2.252 . . . . 0.0 112.36 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.3 m 40.64 41.75 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 45.0 t -137.83 129.98 28.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.444 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 61.5 mm-40 -80.96 -49.69 10.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -61.2 150.48 34.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -155.39 110.08 2.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.827 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.17 61.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.52 -31.81 65.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.497 ' O2P' ' NE ' ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -53.13 151.34 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 74.3 p -106.99 140.95 21.89 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.633 0.73 . . . . 0.0 110.855 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 176.53 6.64 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.649 2.233 . . . . 0.0 112.386 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 110' ' ' CYS . 0.9 OUTLIER -52.29 110.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.897 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -81.62 -55.56 4.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -45.17 -49.74 11.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.02 97.1 0.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.3 m -60.49 164.4 4.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.359 . . . . 0.0 110.891 -179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.1 p -83.12 158.29 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.81 131.6 4.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.503 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.7 t -117.4 111.35 19.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.806 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.0 p -70.66 114.42 8.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.838 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.62 117.27 0.44 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.511 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.3 mtmt -126.34 42.04 3.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -118.73 123.68 45.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -134.39 163.56 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -105.21 175.03 5.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -114.86 77.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -90.77 136.33 33.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -127.23 79.19 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -131.04 76.96 1.76 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 17' ' ' GLU . 0.1 OUTLIER -120.58 -30.06 4.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' TRP . 5.8 pt-20 37.43 33.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.07 84.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.446 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 54.0 Cg_endo -69.72 112.12 2.98 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.642 2.228 . . . . 0.0 112.361 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 19' ' ' PRO . 54.0 Cg_endo -69.8 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.639 2.226 . . . . 0.0 112.347 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 10.5 pm0 -84.51 30.45 0.55 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.969 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -47.55 164.99 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.583 HD11 ' CE1' ' A' ' 62' ' ' PHE . 21.0 mt -46.82 -21.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 m -47.37 -39.79 16.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 26' ' ' HIS . 35.6 m -45.38 -42.17 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.456 ' N ' HG23 ' A' ' 25' ' ' VAL . 96.1 m-70 -67.27 146.77 53.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.6 mt -58.34 -10.27 1.98 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.749 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.4 p-90 -131.38 127.85 38.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.95 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 27.3 t80 -148.02 144.24 27.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.892 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.916 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.01 110.79 3.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.112 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.04 -149.85 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.509 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.482 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.77 5.88 1.53 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.688 2.259 . . . . 0.0 112.375 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.482 ' C ' ' O ' ' A' ' 32' ' ' PRO . 17.6 ttm -31.57 133.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -77.08 170.49 16.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.886 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.423 ' HD2' ' C ' ' A' ' 35' ' ' ARG . 5.0 tmm_? -44.87 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.35 -42.12 40.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -57.57 -35.0 71.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.452 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.623 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -81.83 -57.07 3.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.756 0.313 . . . . 0.0 111.1 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.578 ' HA ' HG11 ' A' ' 72' ' ' VAL . 47.5 mt-10 -42.4 -47.96 5.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.497 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 30.3 t -48.17 -47.15 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 42' ' ' LEU . 98.1 mt -54.89 -71.1 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.725 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -53.92 -16.19 1.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -76.72 -64.4 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.052 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -62.1 -34.77 76.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 5.1 mpt_? -66.93 176.61 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 47' ' ' ASP . 21.6 m -68.35 121.73 16.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.841 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 46' ' ' SER . 2.9 p-10 -36.41 126.37 0.81 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.71 1.27 29.0 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.483 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.515 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.4 m -67.97 162.14 25.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.778 0.323 . . . . 0.0 111.17 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 118' ' ' LEU . 16.3 p90 -156.24 167.26 30.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.896 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.6 pp -162.48 176.98 9.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.916 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 t -118.54 114.28 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.6 mtm-85 -103.02 163.74 12.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.861 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.464 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 41.4 tt0 -131.94 155.29 48.2 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.8 mmm-85 -94.18 170.27 9.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.4 -12.69 11.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.4 mmmt -77.03 -39.78 48.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -142.4 107.56 4.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -39.47 -46.14 1.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.474 ' HB1' ' OG1' ' A' ' 79' ' ' THR . . . -74.4 69.75 1.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -168.58 128.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 23' ' ' LEU . 47.8 m-85 -131.55 174.85 9.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.32 164.51 35.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.433 HG13 HD11 ' A' ' 77' ' ' ILE . 23.2 mt -132.92 107.47 11.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.1 t -103.87 126.52 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.473 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.82 142.96 37.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 66' ' ' ILE . 14.5 tptm -88.35 132.05 34.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -172.44 138.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.681 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.14 52.19 1.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.681 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.62 25.12 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -154.33 143.33 21.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' ' 39' ' ' GLU . 21.5 t -95.38 124.1 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.404 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.4 mmtt -99.79 158.05 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.488 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 0.8 OUTLIER -137.61 142.55 41.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.893 179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.521 HD11 ' CD1' ' A' ' 114' ' ' LEU . 22.1 mt -126.94 125.67 67.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -81.96 141.06 33.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.837 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.433 HD11 HG13 ' A' ' 64' ' ' ILE . 34.5 mt -114.32 145.87 19.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 20.8 mtm -119.61 154.15 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.474 ' OG1' ' HB1' ' A' ' 60' ' ' ALA . 73.2 p -145.87 119.81 9.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.134 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.63 -74.39 0.6 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.065 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -113.18 51.32 0.84 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.92 20.92 72.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.52 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.2 mt -116.18 131.69 56.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 110.907 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.562 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 5.1 m-85 -101.48 129.38 47.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ptt180 -162.17 139.45 8.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.578 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 5.9 pt -95.41 -19.96 6.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 38.8 p -142.0 157.82 44.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.162 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -68.28 -23.88 64.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -71.55 -56.78 5.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.906 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.5 tptp -94.81 139.76 30.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -141.47 144.31 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.081 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.57 ' CD1' HD12 ' A' ' 98' ' ' LEU . 28.8 m-85 -124.82 167.63 14.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.7 tpp180 -93.72 -40.52 10.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.417 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.91 144.05 14.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.501 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.562 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 47.1 tp -42.28 -47.43 4.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.904 0.383 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 m -43.87 -68.94 0.16 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -46.71 -54.95 8.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 92' ' ' PHE . 10.1 tt -41.28 -33.31 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.682 HG13 ' CD1' ' A' ' 118' ' ' LEU . 93.8 t -90.62 -47.85 14.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -66.7 -5.73 13.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 20.7 t80 -97.35 -45.41 6.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.488 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.7 m-85 -55.63 -34.76 65.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.3 mt-30 -51.0 -17.57 0.62 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -110.81 -23.36 11.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.434 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 3.6 m-80 -111.34 112.08 23.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.858 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 t -53.69 128.0 27.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.508 HD13 HD13 ' A' ' 114' ' ' LEU . 16.5 mt -60.74 -11.27 7.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -62.74 -28.61 70.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -58.52 -41.2 84.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.866 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 37.5 m -94.99 -56.78 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.578 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.41 101.87 13.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.922 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.73 -19.64 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.6 t -74.59 -53.7 8.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.851 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.521 ' CD1' HD11 ' A' ' 75' ' ' ILE . 11.8 mt -78.77 99.81 6.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.951 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -92.76 35.41 1.04 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.88 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.2 t -157.67 151.94 24.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.01 164.09 12.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.682 ' CD1' HG13 ' A' ' 99' ' ' VAL . 30.8 mt -46.19 109.7 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.447 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.4 mt-30 -88.66 -51.43 5.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.447 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.0 m-85 -143.17 136.89 14.32 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.695 0.759 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.451 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.8 -170.4 0.39 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -70.56 -38.99 74.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -87.01 -66.02 0.95 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.451 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.2 pt-20 -175.18 151.45 1.34 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -175.55 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.687 2.258 . . . . 0.0 112.346 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -150.66 154.58 37.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -101.96 -63.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -47.87 119.56 2.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 77.3 p -92.77 116.93 29.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.8 tp -158.79 132.63 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.143 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.0 m -132.2 108.43 9.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 45.2 ttp85 -166.28 163.17 17.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.7 t 71.55 45.98 0.42 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.887 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -121.17 64.96 0.47 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 163.85 36.74 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.345 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.3 t -96.21 121.97 38.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.2 m -111.15 -58.38 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.206 -0.775 . . . . 0.0 112.462 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -120.35 144.94 47.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.868 0.366 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -82.04 123.01 28.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -171.1 160.61 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.0 59.13 0.36 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.53 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -107.35 -19.5 13.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.851 0.357 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.04 143.96 30.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 24.5 m -107.78 143.25 26.92 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.642 0.734 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 162.22 42.91 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.647 2.231 . . . . 0.0 112.373 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -73.22 122.96 22.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.17 -40.52 14.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.47 -52.21 65.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.42 ' C ' ' OE1' ' B' ' 14' ' ' GLU . 0.0 OUTLIER -77.62 96.29 4.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -112.47 42.65 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 m -56.08 133.1 51.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.84 -143.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.9 m -153.6 174.72 14.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.864 0.364 . . . . 0.0 110.89 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 p -82.46 -52.85 6.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.851 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.496 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . 45.65 -116.31 1.98 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.524 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 7' ' ' GLY . 0.3 OUTLIER 34.35 33.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.753 0.311 . . . . 0.0 110.889 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -150.74 151.67 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -164.64 130.9 2.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.42 144.46 2.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -161.9 142.16 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -131.2 162.17 30.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -124.77 106.66 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -129.45 39.4 3.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -88.77 95.34 10.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -112.25 44.1 1.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.01 63.88 4.86 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.517 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 154.02 68.18 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.661 2.24 . . . . 0.0 112.372 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.2 Cg_endo -69.72 -175.75 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' PRO . 51.1 tt0 -36.92 109.36 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.701 ' O ' HG22 ' A' ' 25' ' ' VAL . 18.9 m-20 -138.42 154.73 48.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 14.9 mt -43.31 -25.15 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 12.0 t -47.12 -41.47 17.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 22' ' ' ASP . 6.9 m -41.52 -32.58 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 92.1 m-70 -78.33 146.1 34.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 27' ' ' LEU . 7.3 tp -57.51 -11.3 1.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.6 p-90 -130.09 127.47 39.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -148.78 153.21 37.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.913 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.5 111.11 3.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.074 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.41 ' O ' ' O ' ' A' ' 30' ' ' ALA . . . -57.76 -151.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.69 2.63 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 41.5 ttp -38.6 137.97 0.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -90.45 174.6 7.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.539 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.6 tmm_? -44.64 -66.99 0.32 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.93 -38.58 7.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.11 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.441 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.47 -36.59 93.37 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.476 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.618 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -63.84 -57.9 8.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.773 0.321 . . . . 0.0 111.119 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.616 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 21.5 mt-10 -41.48 -43.23 2.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 41.0 t -51.78 -42.83 62.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.581 HG22 HD13 ' A' ' 42' ' ' LEU . 91.1 mt -65.79 -72.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -53.28 -18.58 2.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.616 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -69.2 -33.19 72.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.444 ' ND2' ' O ' ' A' ' 40' ' ' SER . 62.9 m-80 -93.64 -38.16 11.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' N ' ' HD3' ' A' ' 45' ' ' ARG . 2.1 mmt180 -61.47 -175.19 0.05 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.4 m -77.62 172.79 12.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.73 114.67 13.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.16 1.65 18.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.472 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.496 HG22 ' N ' ' A' ' 50' ' ' PHE . 31.9 m -64.57 158.93 22.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.804 0.335 . . . . 0.0 111.174 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.89 ' CG ' HD22 ' A' ' 118' ' ' LEU . 24.0 p90 -153.17 170.74 19.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.43 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 3.0 pp -160.82 174.45 13.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.913 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.8 t -129.47 115.21 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.3 ptt-85 -119.45 156.72 29.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.487 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.2 tt0 -100.53 158.93 15.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.487 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 26.1 mtt180 -94.61 167.48 11.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.9 t -103.96 -36.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.5 mmtt -53.33 -53.0 57.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -130.32 118.89 21.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.86 -60.6 2.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.62 74.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 0.7 OUTLIER -168.92 147.7 4.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 32.7 m-85 -141.75 176.49 8.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.52 ' HB2' ' O3P' ' B' ' 7' ' ' PTR . . . -150.15 156.89 42.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.4 mt -128.78 103.94 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.7 t -99.94 136.51 39.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.599 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -142.01 145.78 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.098 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.488 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 7.7 tptm -94.52 133.31 38.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -174.11 142.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.677 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.3 t-20 63.88 50.58 2.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.677 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.4 m 46.67 24.98 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 22.3 mm-40 -151.37 137.5 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.5 t -91.09 121.64 41.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.49 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 9.7 mttt -95.18 172.06 8.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.539 ' CE1' ' HG2' ' A' ' 35' ' ' ARG . 6.4 m-70 -150.07 140.72 22.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.423 ' C ' ' HD2' ' B' ' 7' ' ' PTR . 57.9 mt -124.38 135.69 62.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' C ' ' HD2' ' A' ' 76' ' ' LYS . 1.0 OUTLIER -95.73 138.42 33.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . 70.5 mt -108.28 137.62 39.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.0 mtm -112.44 146.63 38.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.7 p -138.02 135.67 36.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.107 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.6 -66.7 0.96 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.13 46.89 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.64 29.3 63.74 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 16.5 mt -122.75 151.09 41.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.865 0.364 . . . . 0.0 110.933 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.52 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 0.9 OUTLIER -116.73 126.8 53.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -161.51 138.95 8.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 5.8 pt -93.78 -19.31 6.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.5 p -133.57 155.75 49.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.127 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -66.63 -37.94 85.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -65.68 -57.74 7.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.9 tppt? -83.32 150.33 26.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.479 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -154.32 161.3 41.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.101 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.508 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 3.2 m-85 -142.4 168.66 19.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -88.32 -44.47 10.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.866 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.518 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.96 156.04 24.71 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.596 HD21 HG11 ' A' ' 52' ' ' VAL . 11.5 tp -50.38 -41.34 51.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.4 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 87.1 m -51.9 -68.31 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 8.6 mm-40 -45.66 -41.41 10.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.508 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 5.3 tt -56.77 -37.75 71.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.768 HG13 ' CD1' ' A' ' 118' ' ' LEU . 98.1 t -83.69 -51.57 14.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -64.17 -5.58 5.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.566 ' CE2' ' OD1' ' A' ' 105' ' ' ASN . 83.1 t80 -95.84 -47.35 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.885 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.604 ' CE1' HD23 ' A' ' 107' ' ' LEU . 2.3 m-85 -54.23 -36.8 63.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.959 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -52.19 -20.59 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -104.0 -31.93 9.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.566 ' OD1' ' CE2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -111.37 111.73 22.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.1 m -50.1 135.13 21.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.604 HD23 ' CE1' ' A' ' 102' ' ' TYR . 12.8 mt -57.8 -21.18 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.931 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 7.5 ptmt -57.63 -19.91 29.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -55.95 -40.86 73.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.3 m -100.47 -50.14 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -91.7 157.49 16.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -98.06 -40.16 8.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 24.0 t -65.64 -47.96 73.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.467 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 7.7 mt -74.33 96.17 2.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 11.7 t70 -96.42 25.21 5.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.2 t -143.59 178.72 7.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.457 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -137.17 172.37 13.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.89 HD22 ' CG ' ' A' ' 50' ' ' PHE . 65.3 mt -46.44 108.42 0.14 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.95 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.455 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 37.6 mm-40 -90.56 -47.46 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.455 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.61 135.6 13.92 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 0.0 110.86 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.457 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.4 Cg_endo -69.76 -178.93 2.57 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.237 . . . . 0.0 112.354 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.431 ' CD1' ' HG2' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -61.43 -50.96 70.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 20.3 mttp -70.7 -70.27 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.4 ' O ' ' HG2' ' A' ' 121' ' ' PRO . 9.8 pt-20 -175.53 152.57 1.37 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 110.872 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 141.02 43.94 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -165.53 124.68 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.55 111.99 22.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.2 ttt180 -116.89 44.23 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 20.5 p 38.29 36.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.4 tp -52.47 142.56 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.182 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 11.3 t -114.25 146.04 40.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.3 mpp_? -59.36 126.37 27.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.904 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.7 p -93.42 128.24 39.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.829 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -48.36 139.96 10.84 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.504 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 157.62 59.62 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.631 2.221 . . . . 0.0 112.316 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 90.2 p -124.35 144.15 50.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.6 t -154.38 141.27 19.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.503 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -87.35 -54.94 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.371 . . . . 0.0 110.915 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -103.63 154.05 19.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -143.87 139.71 29.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.65 49.46 0.71 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -93.02 -33.49 14.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.845 0.355 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.52 ' O3P' ' HB2' ' A' ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -48.94 134.22 17.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 29.1 m -100.48 139.91 21.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.678 0.751 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 156.04 64.25 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.349 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 30.2 m-20 -68.88 124.51 23.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -90.88 -39.74 12.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.946 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -67.05 -21.33 65.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -95.56 134.36 38.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.909 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -131.47 157.32 43.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.868 0.366 . . . . 0.0 110.818 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.1 t -88.13 145.8 25.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.848 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 138.73 99.28 0.46 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.2 t -172.71 125.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.1 p -162.58 171.11 17.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.872 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.51 82.08 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 9' ' ' ALA . 19.1 ptpt -173.21 170.59 4.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -35.3 146.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.071 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -108.03 40.98 1.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.07 164.56 13.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.125 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -92.87 139.24 30.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -93.18 144.38 25.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -123.54 5.42 8.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 30.4 m95 -81.7 48.45 1.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -104.33 162.39 13.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -132.23 86.85 2.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 164.6 93.91 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.501 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 166.18 28.35 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.682 2.255 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 120.21 7.03 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.679 2.252 . . . . 0.0 112.401 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -74.32 153.13 39.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.7 OUTLIER -76.26 104.53 6.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.576 HD11 ' CE1' ' A' ' 62' ' ' PHE . 18.1 mt -37.87 -35.31 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 25' ' ' VAL . 46.8 t -38.61 -49.01 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 26' ' ' HIS . 34.4 m -37.86 -44.32 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.502 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 99.6 m-70 -64.86 146.88 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.422 HD12 ' HA ' ' A' ' 27' ' ' LEU . 7.5 tp -59.61 -9.47 2.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.74 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 17.9 p-90 -132.17 128.41 37.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -148.04 151.81 36.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.925 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.34 111.0 3.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.09 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.37 -148.52 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.505 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.7 Cg_endo -69.7 8.56 0.73 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.712 2.275 . . . . 0.0 112.328 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.712 ' CE ' HD11 ' A' ' 41' ' ' ILE . 5.5 tpp -28.56 140.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -98.44 172.35 7.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.867 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.454 ' HD2' ' C ' ' A' ' 35' ' ' ARG . 3.3 tmm_? -39.49 -69.5 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.43 -29.82 64.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.12 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.0 -32.98 82.39 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.455 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -80.25 -64.31 1.22 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.695 0.283 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' HA ' HG11 ' A' ' 72' ' ' VAL . 31.1 mt-10 -40.09 -42.77 1.49 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.84 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.6 m -52.71 -45.2 66.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.84 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.712 HD11 ' CE ' ' A' ' 33' ' ' MET . 46.1 mt -59.22 -72.03 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.703 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.06 -27.34 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -57.33 5.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.135 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -61.05 -45.14 95.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -63.46 -177.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -67.04 169.45 8.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -76.31 120.57 21.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 111.66 6.13 25.26 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.443 HG22 ' N ' ' A' ' 50' ' ' PHE . 27.8 m -67.17 156.43 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 111.138 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.591 ' CG ' HD22 ' A' ' 118' ' ' LEU . 30.2 p90 -149.88 171.45 16.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD2' HD11 ' A' ' 42' ' ' LEU . 2.4 pp -167.32 176.63 6.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.903 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.925 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.8 t -127.0 114.79 38.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -116.82 152.42 34.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 59' ' ' ALA . 59.9 tt0 -96.73 160.51 14.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.3 mmm180 -93.66 157.06 16.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 93.4 t -95.28 -42.75 12.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 mmmt -52.17 -46.85 65.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -131.48 115.37 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.409 ' O ' ' NE2' ' A' ' 54' ' ' GLN . . . -44.6 -58.28 3.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.04 79.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.091 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -165.42 162.12 19.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.576 ' CE1' HD11 ' A' ' 23' ' ' LEU . 42.3 m-85 -160.2 169.16 23.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.71 154.08 30.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.1 mt -116.81 105.36 18.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.16 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.4 t -98.82 125.38 44.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.489 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.27 141.39 42.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.17 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 9.6 tptm -88.02 133.04 34.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -174.15 140.46 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.721 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.2 49.47 1.5 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 47.84 25.4 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 8.6 mm-40 -153.47 141.4 20.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.441 HG11 ' HA ' ' A' ' 39' ' ' GLU . 95.6 t -90.15 120.02 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -95.5 154.85 17.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CD2' ' N ' ' A' ' 74' ' ' HIS . 1.2 m-70 -136.99 136.37 38.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.814 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.489 HD11 ' CD1' ' A' ' 114' ' ' LEU . 4.5 mp -119.82 121.93 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.6 ttpm? -77.97 146.71 35.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.429 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 83.6 mt -121.48 127.27 75.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 37.6 mtm -92.86 154.0 18.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 83' ' ' LEU . 58.2 p -149.83 142.07 24.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.84 -71.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.08 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -111.12 11.87 21.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 119.3 25.22 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' O ' HG22 ' A' ' 79' ' ' THR . 3.4 mm? -105.8 176.39 5.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.801 0.334 . . . . 0.0 110.951 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.468 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 4.5 m-85 -150.81 124.34 9.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -162.16 141.34 9.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.4 pt -96.4 -17.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.5 p -144.33 158.0 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -68.16 -35.19 77.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -60.62 -58.74 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -97.56 141.11 31.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.901 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -147.47 150.31 34.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.099 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.576 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.7 m-85 -123.68 173.12 8.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 6.0 ppt_? -99.2 -36.87 9.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 93' ' ' ARG . . . -137.14 153.33 21.79 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.47 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.533 HD23 HD21 ' A' ' 23' ' ' LEU . 62.2 tp -53.93 -42.45 68.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.502 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 63.5 m -50.86 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -46.45 -45.29 18.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.576 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 10.3 tt -51.6 -34.1 35.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.576 HG13 ' CD1' ' A' ' 118' ' ' LEU . 68.1 t -88.49 -46.01 15.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.126 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -66.55 -4.93 9.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.606 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 92.8 t80 -96.83 -46.2 6.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -55.01 -37.98 67.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -50.28 -21.35 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.93 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -109.17 -29.98 8.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.606 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 11.0 m-80 -107.11 109.67 21.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -56.19 133.24 52.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 117' ' ' THR . 9.5 mp -62.28 -8.83 6.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.933 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 12.1 ptpt -66.46 -19.95 65.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -65.54 -35.01 79.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.9 m -101.0 -52.58 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -97.71 158.01 15.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.503 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -104.41 -16.3 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 3.7 t -78.99 -45.39 20.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.639 HD12 ' HG3' ' B' ' 8' ' ' GLU . 4.4 mt -90.9 100.31 13.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -96.72 29.59 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.863 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.0 t -147.47 166.1 28.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.402 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.69 163.7 17.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.591 HD22 ' CG ' ' A' ' 50' ' ' PHE . 31.5 mt -41.79 109.0 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 -86.15 -50.78 6.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.431 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 2.0 m-85 -143.22 134.0 12.43 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.439 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 54.1 Cg_endo -69.75 -178.48 2.36 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.644 2.229 . . . . 0.0 112.38 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.452 ' CE2' ' HG2' ' A' ' 123' ' ' LYS . 1.0 OUTLIER -61.14 -50.79 71.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.452 ' HG2' ' CE2' ' A' ' 122' ' ' PHE . 1.7 mtpm? -71.74 -69.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 125' ' ' PRO . 1.8 pp20? -176.01 153.28 1.32 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.675 0.75 . . . . 0.0 110.873 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.415 ' O ' ' CD ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.8 140.81 43.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -96.98 150.29 20.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.97 27.28 8.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -99.03 81.33 2.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.9 p -91.98 38.36 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 131' ' ' SER . 5.2 tp -53.14 -40.69 39.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.126 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.414 ' N ' HG23 ' A' ' 130' ' ' ILE . 72.3 m 56.63 54.57 7.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.809 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -101.9 41.19 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.0 m -69.81 171.46 9.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -165.29 70.13 0.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -175.72 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.688 2.259 . . . . 0.0 112.303 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.3 t 68.57 40.81 1.82 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.4 t -91.29 110.74 22.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.452 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -102.49 -57.5 2.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -115.15 145.91 41.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -169.25 130.15 1.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.04 91.1 0.26 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -117.62 -38.04 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.473 ' HD1' ' CA ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.639 ' HG3' HD12 ' A' ' 114' ' ' LEU . 6.4 mm-40 -63.91 132.97 52.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 5.1 m -98.52 142.29 24.34 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.653 0.739 . . . . 0.0 110.885 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 140.44 42.48 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.726 2.284 . . . . 0.0 112.297 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.503 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.2 m-20 -64.75 127.32 31.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' B' ' 14' ' ' GLU . 4.1 tm-20 -97.47 -58.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -40.95 -25.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' B' ' 12' ' ' GLU . 4.6 mp0 -89.26 147.85 23.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.4 p -85.08 133.79 34.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -74.28 -46.14 43.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.66 93.94 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.0 p -96.61 130.95 43.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.9 0.381 . . . . 0.0 110.847 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 m -68.07 -53.97 21.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.88 -98.49 1.51 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.525 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 tttp -58.95 132.09 52.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 110.874 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.38 173.69 7.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -88.73 139.18 30.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -111.57 113.63 26.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -145.55 153.14 40.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -156.28 113.58 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.946 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.424 ' HB2' ' CE2' ' A' ' 16' ' ' TRP . 17.8 p-10 -48.66 159.51 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' GLU . 47.1 m95 -130.87 -46.4 1.03 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.429 ' C ' ' O ' ' A' ' 15' ' ' TRP . 9.6 p90 -34.92 -33.68 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 15' ' ' TRP . 55.1 mm-40 -75.99 71.94 2.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -34.86 98.54 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 18' ' ' GLY . 53.6 Cg_endo -69.75 154.99 67.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.347 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.3 Cg_endo -69.68 -164.25 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.692 2.261 . . . . 0.0 112.382 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' PRO . 14.4 tt0 -35.0 134.71 0.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -129.58 152.01 49.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.49 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 36.2 mt -53.07 -25.89 14.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.3 p -38.88 -40.57 0.65 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.838 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.511 HG23 ' N ' ' A' ' 26' ' ' HIS . 34.5 m -45.82 -45.46 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.511 ' N ' HG23 ' A' ' 25' ' ' VAL . 96.3 m-70 -62.11 151.41 35.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -66.84 -5.43 12.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.751 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.6 p-90 -135.55 127.6 29.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -148.95 146.38 27.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.938 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.931 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.59 110.45 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.093 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.44 -154.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.452 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.78 3.17 2.94 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.677 2.252 . . . . 0.0 112.308 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.468 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 25.2 ttp -33.48 141.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.923 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.7 pt-20 -81.34 155.39 26.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.571 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -37.42 -62.11 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.06 -46.36 44.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.111 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.468 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -53.07 -39.31 57.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.48 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -69.54 -49.47 54.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.69 0.281 . . . . 0.0 111.094 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.641 ' HA ' HG21 ' A' ' 72' ' ' VAL . 21.3 mt-10 -40.75 -49.93 3.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.49 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 6.8 t -55.53 -42.83 75.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 42' ' ' LEU . 15.0 mt -60.35 -63.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.091 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.548 HD23 HG22 ' A' ' 49' ' ' THR . 5.8 mt -67.51 -5.17 13.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -71.98 -59.17 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.077 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 -60.58 -46.88 88.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.8 mmt-85 -49.82 -179.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -79.77 158.51 26.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.828 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -61.59 103.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 134.96 -0.83 3.73 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.514 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.548 HG22 HD23 ' A' ' 42' ' ' LEU . 22.7 m -64.95 149.64 49.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.846 ' CG ' HD22 ' A' ' 118' ' ' LEU . 25.1 p90 -145.12 177.96 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.465 HD11 ' HB3' ' A' ' 65' ' ' SER . 0.9 OUTLIER -170.53 177.15 4.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.949 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.931 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.3 t -121.04 116.83 50.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.525 ' HB2' ' HB3' ' A' ' 63' ' ' ALA . 11.1 mtm-85 -105.87 165.19 11.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.475 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 40.4 tt0 -129.72 156.06 44.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.8 tpt85 -97.2 158.03 15.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.7 m -95.7 -33.72 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.107 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.0 mttt -53.68 -45.96 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t0 -136.37 113.95 10.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.56 -28.82 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -85.78 54.24 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -141.25 163.93 31.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.843 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.612 ' HB3' HD12 ' A' ' 77' ' ' ILE . 22.2 m-85 -160.22 167.64 27.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.525 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -151.27 157.45 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.113 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.541 HG13 HD11 ' A' ' 77' ' ' ILE . 63.6 mt -128.82 102.32 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.465 ' HB3' HD11 ' A' ' 51' ' ' LEU . 32.4 t -100.55 133.96 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.553 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.57 145.82 28.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.156 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.425 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.4 tptp -92.95 120.58 33.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.471 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 3.0 t80 -167.4 138.86 3.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.2 t-20 72.63 54.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.59 25.08 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 69' ' ' ASN . 14.8 mt-10 -156.66 137.6 13.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.847 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.641 HG21 ' HA ' ' A' ' 39' ' ' GLU . 86.7 t -87.4 123.48 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.592 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 14.8 mmtm -98.19 163.23 12.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.592 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.4 m-70 -152.67 137.2 16.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.453 ' CA ' ' HD1' ' B' ' 7' ' ' PTR . 5.1 mp -125.09 150.87 30.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -97.03 147.08 24.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.612 HD12 ' HB3' ' A' ' 62' ' ' PHE . 58.7 mt -113.18 156.93 14.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.502 ' N ' HG22 ' A' ' 77' ' ' ILE . 40.0 mtm -125.41 160.04 30.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 83' ' ' LEU . 80.4 p -147.64 125.46 11.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.88 -74.41 0.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.11 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -115.5 15.55 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 124.77 14.04 3.57 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.599 HD22 ' N ' ' A' ' 83' ' ' LEU . 2.5 mm? -97.39 179.79 4.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.807 0.337 . . . . 0.0 110.927 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.496 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 2.0 m-85 -143.5 121.86 12.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.907 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -159.58 130.15 5.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.497 HG13 HG23 ' A' ' 87' ' ' THR . 18.8 pt -84.29 -24.5 7.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.497 HG23 HG13 ' A' ' 86' ' ' ILE . 40.3 p -119.4 178.2 4.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -93.88 -27.18 16.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -76.51 -55.57 5.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 12.2 tppt? -85.86 149.51 25.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -150.05 159.95 44.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.638 ' CD1' HD12 ' A' ' 98' ' ' LEU . 10.0 m-85 -139.48 166.27 25.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -85.32 -44.39 12.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.488 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.63 154.9 24.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.496 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 55.6 tp -48.72 -45.35 39.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 m -49.18 -67.06 0.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -44.84 -52.49 8.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.638 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.1 tt -48.33 -35.06 11.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.516 HG13 HD13 ' A' ' 118' ' ' LEU . 88.1 t -82.27 -51.93 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -64.4 -5.37 5.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.514 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 73.6 t80 -97.61 -47.99 5.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.894 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.564 ' CD1' HD23 ' A' ' 107' ' ' LEU . 1.6 m-85 -52.79 -36.26 58.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 68.2 mt-30 -55.25 -17.99 5.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -104.39 -34.24 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.514 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.62 112.69 25.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.874 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.4 t -52.99 135.03 37.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.838 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.564 HD23 ' CD1' ' A' ' 102' ' ' TYR . 88.3 mt -59.21 -13.56 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.949 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 21.3 pttt -67.88 -18.69 64.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -66.28 -38.32 87.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 61.5 m -100.04 -38.12 8.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' B' ' 10' ' ' PRO . 2.9 m-85 -103.49 163.89 12.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -26.29 9.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.5 m -83.32 -42.73 16.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.743 HD11 ' OE2' ' B' ' 8' ' ' GLU . 28.7 mt -82.68 98.71 9.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -97.69 37.55 1.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.7 t -153.86 160.76 42.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.121 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.07 163.42 19.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.846 HD22 ' CG ' ' A' ' 50' ' ' PHE . 36.3 mt -43.97 110.29 0.2 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -93.48 -44.68 8.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.984 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.0 m-85 -147.42 138.97 13.53 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.662 0.744 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.487 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 54.1 Cg_endo -69.75 -169.84 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.757 2.305 . . . . 0.0 112.331 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.617 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.1 OUTLIER -71.36 -34.14 70.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -92.9 -65.23 1.01 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.487 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 14.1 pt-20 -175.18 153.33 1.54 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.673 0.749 . . . . 0.0 110.864 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -175.39 1.15 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.726 2.284 . . . . 0.0 112.309 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 46.3 tt0 -168.68 124.04 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -77.97 128.01 33.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -174.28 140.52 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 61.2 p -134.82 155.91 49.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 11.1 tp -174.19 148.05 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.121 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.4 p -141.01 113.12 7.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -113.9 169.7 8.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.868 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.3 p -127.78 151.27 49.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -169.7 90.06 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.514 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -3.08 11.25 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.365 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 137' ' ' SER . 62.2 p -57.72 -52.67 64.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 136' ' ' SER . 8.3 t -34.75 117.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.506 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -107.76 118.76 37.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -157.77 122.54 4.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -124.84 88.3 2.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.864 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.74 47.08 0.21 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -113.04 -39.49 4.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.453 ' HD1' ' CA ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.743 ' OE2' HD11 ' A' ' 114' ' ' LEU . 12.3 mt-10 -67.9 174.42 3.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.902 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -136.15 133.43 19.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.683 0.754 . . . . 0.0 110.824 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.486 ' HG3' HG22 ' A' ' 87' ' ' THR . 53.6 Cg_endo -69.79 174.3 9.73 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.659 2.239 . . . . 0.0 112.359 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -70.41 116.44 10.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -94.81 -52.82 4.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -49.6 -43.78 46.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.9 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -96.2 108.15 20.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.843 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -156.07 173.02 17.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.868 0.366 . . . . 0.0 110.819 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t -154.0 174.1 15.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.887 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.49 -154.17 6.91 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.3 p -163.32 171.99 15.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.349 . . . . 0.0 110.898 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -147.51 163.79 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.06 -156.39 25.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tptp -173.43 140.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.07 177.68 4.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.073 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -152.43 141.75 21.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -128.3 158.13 39.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -150.73 126.15 10.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.2 pm0 -103.41 169.81 8.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB3' ' CE2' ' A' ' 16' ' ' TRP . 21.7 m-80 -148.48 129.4 14.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 9.0 m95 -133.83 42.98 2.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.92 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.417 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -98.8 94.48 6.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.88 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.452 ' O ' ' C ' ' A' ' 18' ' ' GLY . 27.7 mp0 -120.58 81.8 1.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . 34.33 65.97 0.32 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.492 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 153.55 68.8 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 0.0 112.297 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.7 Cg_endo -69.77 -175.62 1.22 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 20' ' ' PRO . 61.5 tt0 -34.61 134.65 0.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' ' N ' ' A' ' 24' ' ' SER . 23.9 t70 -143.39 141.33 30.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.532 HD11 ' CE1' ' A' ' 62' ' ' PHE . 19.5 mt -35.8 -30.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.487 ' N ' ' O ' ' A' ' 22' ' ' ASP . 27.4 t -39.46 -46.9 1.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 26' ' ' HIS . 24.2 m -40.18 -44.9 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.194 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.471 ' N ' HG23 ' A' ' 25' ' ' VAL . 99.8 m-70 -63.33 147.19 51.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.43 -10.3 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.62 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 15.3 p-90 -130.28 127.76 40.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -148.76 151.94 35.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.912 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.882 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.04 110.92 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.107 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.1 -151.27 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.495 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.3 Cg_endo -69.77 3.28 2.87 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.675 2.25 . . . . 0.0 112.367 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 37' ' ' GLY . 25.9 ttp -35.37 135.29 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.834 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -80.56 171.85 14.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 0.0 OUTLIER -47.68 -66.89 0.33 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.27 -39.69 6.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.096 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.462 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -62.42 -37.33 94.47 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.515 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.659 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -66.91 -61.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.748 0.308 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.457 ' HA ' HG11 ' A' ' 72' ' ' VAL . 28.2 mt-10 -38.33 -51.98 1.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.532 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.8 m -43.08 -53.42 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.563 HG22 HD13 ' A' ' 42' ' ' LEU . 76.5 mt -52.56 -70.87 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.659 HD22 ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -49.74 -24.41 2.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -70.08 -60.24 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -59.54 -41.75 90.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -66.42 -178.4 0.67 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.0 m -68.18 161.23 27.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -68.52 120.67 14.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.9 5.77 23.4 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.458 HG22 HD12 ' A' ' 42' ' ' LEU . 16.7 m -65.53 157.85 28.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.349 . . . . 0.0 111.11 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.958 ' CG ' HD22 ' A' ' 118' ' ' LEU . 18.8 p90 -155.31 167.44 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 2.6 pp -163.27 177.05 9.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.882 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -123.57 118.65 55.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -121.35 155.88 33.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.468 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 53.0 tt0 -102.53 160.34 14.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 10.1 mtt-85 -93.69 175.01 6.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 m -110.01 -36.55 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.46 ' HD3' ' N ' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -50.07 -38.6 38.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.928 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' N ' ' HD3' ' A' ' 57' ' ' LYS . 29.3 t70 -145.82 130.08 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.84 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.24 -56.47 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.17 75.97 0.51 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.055 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -155.83 164.78 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.532 ' CE1' HD11 ' A' ' 23' ' ' LEU . 27.6 m-85 -161.5 165.52 28.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.8 164.93 36.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.7 mt -134.48 115.36 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.5 m -111.41 130.99 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.522 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.06 144.7 31.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.098 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.5 tptp -90.49 126.55 35.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -171.94 139.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.625 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.8 t-20 69.32 52.75 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.849 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.625 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 45.18 25.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -158.38 143.93 16.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 39' ' ' GLU . 85.3 t -93.88 120.67 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.9 mmtt -95.45 152.95 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.581 ' CE1' ' HG2' ' A' ' 35' ' ' ARG . 2.0 m-70 -131.95 147.81 52.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.887 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.474 ' N ' ' HD2' ' B' ' 7' ' ' PTR . 48.6 mt -132.01 136.43 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.102 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.421 ' HD3' ' NH2' ' A' ' 55' ' ' ARG . 25.5 ttpp -89.53 151.74 21.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.472 HD12 ' HB3' ' A' ' 62' ' ' PHE . 69.3 mt -125.81 145.85 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.15 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.424 ' O ' HG23 ' A' ' 79' ' ' THR . 30.3 mtm -121.66 161.86 21.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 78' ' ' MET . 41.1 p -157.21 115.33 3.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -104.33 -66.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.077 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -111.42 48.54 0.94 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.82 31.16 65.06 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -124.31 133.11 53.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.532 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 5.9 m-85 -102.74 125.57 49.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptt-85 -161.98 140.4 9.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.6 pt -97.65 -16.84 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.14 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 17.7 p -141.04 161.08 38.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -72.81 -34.42 66.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -64.04 -50.58 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.3 tppt? -100.22 147.79 25.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.442 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -152.01 162.38 41.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.077 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -142.6 170.67 15.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.0 mmt180 -92.8 -44.13 8.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.532 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.04 151.78 21.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.449 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.416 HD21 HG11 ' A' ' 52' ' ' VAL . 21.2 tp -48.06 -49.3 31.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.923 0.392 . . . . 0.0 110.937 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.6 m -41.87 -56.13 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.16 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 mp0 -61.18 -49.35 77.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.524 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.7 tt -45.93 -35.15 4.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.764 HG13 HD13 ' A' ' 118' ' ' LEU . 83.7 t -90.33 -39.31 11.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -72.68 -5.26 36.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.52 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 88.7 t80 -98.42 -47.84 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.459 ' CD1' HD23 ' A' ' 107' ' ' LEU . 2.2 m-85 -53.23 -32.31 47.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -60.67 -11.34 7.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -112.75 -15.01 13.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -129.84 109.56 11.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.409 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 29.5 t -45.43 131.15 8.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 116' ' ' THR . 17.9 mt -54.98 -19.45 6.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 8.1 pttp -57.59 -22.9 47.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -54.23 -43.6 70.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.435 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 63.8 m -96.47 -58.58 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -87.35 160.41 18.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -47.03 5.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 m -57.0 -47.83 79.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.1 mt -79.72 99.89 7.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.442 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 3.8 t70 -102.2 31.23 4.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.742 ' O ' HD12 ' A' ' 107' ' ' LEU . 14.2 t -146.17 155.16 42.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.409 ' CG2' ' HA ' ' A' ' 106' ' ' SER . 0.2 OUTLIER -111.56 165.81 11.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.958 HD22 ' CG ' ' A' ' 50' ' ' PHE . 52.1 mt -47.23 111.44 0.41 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -91.4 -51.74 5.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.92 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -142.13 136.7 15.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.649 0.738 . . . . 0.0 110.865 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.447 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.75 -166.88 0.2 Allowed 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.748 2.298 . . . . 0.0 112.341 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.415 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 1.0 OUTLIER -73.86 -36.41 64.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.912 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -91.75 -64.86 1.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.447 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 10.6 pt-20 -175.1 152.28 1.45 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.674 0.75 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -173.8 0.79 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -154.02 122.74 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.0 pttp -90.33 164.86 14.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 56.76 42.64 26.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 25.8 p -134.82 119.79 18.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.156 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 130' ' ' ILE . 19.2 tt -153.69 123.09 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.1 p -118.3 125.81 50.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.574 ' H ' ' NE ' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -130.26 146.65 51.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 51.0 m -157.97 179.49 9.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.05 72.44 0.77 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.464 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -48.86 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 137' ' ' SER . 47.7 t -167.46 126.16 1.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.836 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 136' ' ' SER . 43.6 t -35.01 102.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.91 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.513 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -81.3 45.46 0.86 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.855 0.359 . . . . 0.0 110.875 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.35 145.68 29.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -122.76 88.64 2.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -155.5 50.15 0.47 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.479 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -89.7 -46.42 8.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.814 0.34 . . . . 0.0 110.858 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.474 ' HD2' ' N ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -50.71 135.92 22.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 25.2 m -94.48 142.57 24.99 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.654 0.74 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 147.89 63.96 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.687 2.258 . . . . 0.0 112.366 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.435 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 58.4 m-20 -69.38 141.34 54.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -98.12 -40.59 8.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.869 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -50.88 -47.52 60.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' B' ' 15' ' ' GLU . 16.6 pt-20 -52.22 110.93 0.54 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' B' ' 14' ' ' GLU . 3.2 tp10 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.931 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -169.95 165.24 9.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -174.1 176.18 2.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.09 178.61 42.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.7 p -153.92 172.69 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.5 p -169.98 172.82 6.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.08 108.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.88 152.76 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.765 0.317 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -146.38 146.45 30.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.059 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -135.45 153.2 51.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.46 176.07 5.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.063 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -145.09 131.84 20.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -154.46 146.37 23.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -140.04 162.0 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 94.3 m95 -112.97 -46.06 3.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -48.94 166.61 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -132.36 82.57 2.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.26 84.0 0.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.446 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 166.31 28.1 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.682 2.255 . . . . 0.0 112.335 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 179.14 3.87 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.732 2.288 . . . . 0.0 112.32 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.3 tp-100 -61.7 154.89 24.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.618 ' O ' HG22 ' A' ' 25' ' ' VAL . 1.3 m-20 -146.6 143.49 28.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.705 HD11 ' CE1' ' A' ' 62' ' ' PHE . 14.8 mt -42.91 -24.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 22' ' ' ASP . 56.1 p -48.66 -41.55 31.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.618 HG22 ' O ' ' A' ' 22' ' ' ASP . 16.1 m -42.64 -30.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -80.06 151.84 29.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.0 tp -64.99 -8.6 16.58 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.819 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 19.9 p-90 -132.4 127.75 36.09 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.97 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -148.46 147.78 29.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.928 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -152.63 110.43 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.097 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.88 -152.72 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.541 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.5 Cg_endo -69.78 6.28 1.38 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.682 2.255 . . . . 0.0 112.367 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.508 ' C ' ' O ' ' A' ' 32' ' ' PRO . 4.1 ttm -29.68 137.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -173.52 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.419 ' NH1' ' ND1' ' A' ' 74' ' ' HIS . 13.1 tpp180 -61.45 -69.36 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.14 -27.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -71.47 -34.65 63.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.687 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -74.21 -62.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.785 0.326 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.676 ' HA ' HG11 ' A' ' 72' ' ' VAL . 21.1 mt-10 -41.85 -53.51 3.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.565 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 26.8 t -42.52 -55.11 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.874 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.476 HD11 ' HE1' ' A' ' 33' ' ' MET . 85.1 mt -48.74 -70.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.83 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -54.64 -14.43 1.33 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -81.14 -64.32 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.071 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -60.23 -28.88 68.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -78.63 174.26 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 t -61.51 157.17 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -68.08 114.84 6.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.73 2.03 10.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.46 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.5 m -66.04 155.55 36.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 111.141 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.657 ' CG ' HD22 ' A' ' 118' ' ' LEU . 32.5 p90 -151.32 166.96 29.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' HB3' ' HB2' ' A' ' 122' ' ' PHE . 2.1 pp -161.65 175.85 11.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.939 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.928 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.54 112.99 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.546 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 0.3 OUTLIER -107.24 168.85 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.456 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 42.2 tt0 -131.16 154.15 48.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.1 ptm180 -94.0 171.52 8.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 12.5 m -104.59 -29.23 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp -59.24 -59.0 6.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -120.15 110.07 16.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.7 -47.62 50.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.76 75.99 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.177 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.494 ' OE1' ' N ' ' A' ' 62' ' ' PHE . 5.4 tm-20 -169.78 170.13 8.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.705 ' CE1' HD11 ' A' ' 23' ' ' LEU . 33.0 m-85 -163.08 173.66 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.836 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.448 ' N ' HD12 ' A' ' 77' ' ' ILE . . . -149.84 163.98 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.485 HG13 HD11 ' A' ' 77' ' ' ILE . 70.6 mt -135.59 107.6 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.2 m -106.56 131.4 53.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.489 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -139.59 144.09 29.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.147 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.492 ' CB ' ' HB3' ' A' ' 42' ' ' LEU . 12.1 tptm -91.0 133.15 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.896 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -175.58 134.61 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.416 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.7 t-20 71.24 55.0 0.22 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.774 ' O ' HG23 ' A' ' 70' ' ' VAL . 1.0 OUTLIER 40.63 27.45 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 179.902 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 69' ' ' ASN . 8.2 mt-10 -156.0 133.23 10.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.676 HG11 ' HA ' ' A' ' 39' ' ' GLU . 48.1 t -87.16 125.01 40.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.157 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.556 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 35.5 mmtt -101.44 164.26 11.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.556 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -147.41 145.2 29.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.854 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 51.7 mt -129.75 123.37 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.432 ' HB2' ' CD2' ' B' ' 7' ' ' PTR . 25.1 ttmt -83.4 130.61 35.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.539 HD12 ' C ' ' A' ' 62' ' ' PHE . 25.3 mt -98.59 156.04 3.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.14 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.484 ' N ' HG22 ' A' ' 77' ' ' ILE . 27.8 mtm -132.44 146.2 51.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 46.6 p -136.33 138.08 41.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -122.08 -74.88 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -108.4 47.54 0.9 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 78.05 30.58 50.78 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 40.7 mt -124.88 144.16 50.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.793 0.33 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.557 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 2.9 m-85 -113.51 127.76 56.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -161.95 144.36 11.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.872 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.48 HD11 ' OH ' ' A' ' 102' ' ' TYR . 7.6 pt -102.98 -13.92 8.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.3 p -141.37 160.19 40.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -74.69 -32.19 62.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.863 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.4 mtpt -61.72 -59.93 4.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 8.4 tppt? -98.58 147.85 24.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.452 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -144.6 154.65 43.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -131.71 171.91 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 94' ' ' GLY . 4.5 ppt_? -98.43 -35.18 10.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.557 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -144.57 155.22 26.26 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.461 HD13 HD13 ' A' ' 77' ' ' ILE . 60.2 tp -56.56 -39.4 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.905 0.383 . . . . 0.0 110.929 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.4 m -50.1 -55.66 14.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.107 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -60.82 -48.74 80.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.427 ' O ' HD23 ' A' ' 98' ' ' LEU . 7.9 tt -49.13 -28.84 4.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.759 HG13 HD13 ' A' ' 118' ' ' LEU . 90.2 t -92.96 -43.91 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.99 -5.47 35.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.511 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 79.7 t80 -97.38 -50.76 4.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.6 m-85 -53.32 -32.59 49.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.445 ' CG ' ' HB2' ' A' ' 118' ' ' LEU . 36.4 mt-30 -59.47 -12.53 6.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -112.75 -15.53 12.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -130.12 109.02 10.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.432 ' HA ' ' CG2' ' A' ' 117' ' ' THR . 7.7 t -44.73 133.65 5.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 102' ' ' TYR . 9.2 mt -58.09 -16.88 14.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.937 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -59.19 -16.86 22.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -59.26 -36.91 76.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.493 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 64.3 m -104.39 -58.75 1.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.439 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 23.1 m-85 -87.18 158.49 19.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -98.1 -42.87 7.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 37.8 t -57.24 -54.06 51.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 8.9 mt -77.05 96.18 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -94.48 23.12 5.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.827 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.3 t -136.18 -177.28 4.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.445 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -138.76 171.01 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.098 -179.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.759 HD13 HG13 ' A' ' 99' ' ' VAL . 48.1 mt -50.51 107.32 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.421 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 60.9 mt-30 -89.99 -48.49 7.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.487 ' O ' ' CD1' ' A' ' 50' ' ' PHE . 1.7 m-85 -143.97 136.54 13.48 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.638 0.733 . . . . 0.0 110.864 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.77 -171.25 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.253 . . . . 0.0 112.354 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.4 ' HB2' ' HB3' ' A' ' 51' ' ' LEU . 1.4 t80 -69.77 -52.4 25.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -67.72 -70.46 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.417 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 3.5 pt-20 -175.17 151.68 1.37 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.59 0.709 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 129.18 17.09 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.647 2.232 . . . . 0.0 112.355 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -166.29 113.17 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -103.04 80.77 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -174.3 118.87 0.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 73.4 p -77.59 91.86 4.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 131' ' ' SER . 11.9 tt -131.33 -41.61 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.171 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.42 ' N ' HG23 ' A' ' 130' ' ' ILE . 2.4 t -113.26 101.53 9.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.415 ' C ' ' HD2' ' A' ' 132' ' ' ARG . 4.4 ppt_? -97.86 -29.37 13.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.8 t -79.52 110.64 15.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -109.48 -156.19 16.59 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.432 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -175.87 1.29 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.696 2.264 . . . . 0.0 112.382 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.9 t -160.83 109.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.1 t -122.68 173.25 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.438 179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -118.92 41.75 2.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.881 0.372 . . . . 0.0 110.942 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.11 93.94 9.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.831 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -150.79 136.27 17.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.68 81.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.545 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -69.78 -40.57 75.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.886 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.443 ' N ' ' HD2' ' B' ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -45.24 148.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.903 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 11.3 m -107.26 141.02 22.05 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.665 0.745 . . . . 0.0 110.853 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 144.21 53.4 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.724 2.283 . . . . 0.0 112.314 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.493 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 25.4 m-20 -63.72 114.43 4.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -78.08 -38.8 43.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -47.77 -54.05 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.4 140.23 57.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.885 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 m -127.55 163.23 24.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.926 0.393 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t -60.86 170.67 1.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.74 121.45 1.47 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -165.51 134.62 3.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 110.854 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -152.06 134.45 15.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.44 130.08 6.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -136.04 125.47 25.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.777 0.322 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -162.14 161.13 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -137.24 129.17 29.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -151.27 152.99 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -148.14 145.41 28.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -157.7 118.54 3.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.966 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -126.68 80.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 93.7 m95 -124.5 72.94 1.22 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -125.62 -21.14 4.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -76.21 96.11 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 156.48 -73.84 0.23 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 169.01 19.84 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.705 2.27 . . . . 0.0 112.333 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.75 -169.29 0.32 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' C ' ' O ' ' A' ' 20' ' ' PRO . 45.1 tt0 -36.27 139.94 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.945 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -141.46 149.9 41.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.617 HD11 ' CE1' ' A' ' 62' ' ' PHE . 17.2 mt -40.62 -30.97 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.0 m -40.21 -44.35 1.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.811 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.534 HG23 ' N ' ' A' ' 26' ' ' HIS . 33.4 m -43.91 -46.38 2.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.089 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.534 ' N ' HG23 ' A' ' 25' ' ' VAL . 98.5 m-70 -61.94 146.03 51.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 mt -60.34 -9.49 3.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.719 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.0 p-90 -131.52 128.36 39.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 21.4 t80 -148.43 140.57 24.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.94 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.49 110.09 3.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -70.66 -144.41 0.27 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.45 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.8 6.01 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.664 2.243 . . . . 0.0 112.375 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.499 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.2 ttp -29.72 137.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -86.62 175.87 8.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HD3' ' CD ' ' A' ' 39' ' ' GLU . 5.7 tmm_? -45.33 -68.45 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.92 -30.28 33.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.093 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.92 -27.72 73.59 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.623 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -92.65 -60.63 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 43' ' ' ALA . 23.8 mt-10 -43.7 -43.97 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.4 t -53.0 -37.35 61.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.592 HG22 HD13 ' A' ' 42' ' ' LEU . 95.4 mt -69.69 -71.63 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.697 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -54.32 -21.52 9.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -72.27 -63.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.05 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -62.05 -37.37 84.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.441 ' HD3' HG23 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -65.34 -179.19 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.5 m -67.42 146.56 53.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -60.38 108.87 0.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.887 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 128.01 7.6 4.5 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.472 HG22 ' N ' ' A' ' 50' ' ' PHE . 10.0 m -70.25 161.09 30.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.848 0.356 . . . . 0.0 111.133 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 118' ' ' LEU . 16.6 p90 -156.56 167.27 30.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 65' ' ' SER . 0.9 OUTLIER -163.57 177.2 8.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.915 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.94 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.2 t -118.49 114.73 45.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.47 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 29.7 mtm180 -100.03 169.04 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.479 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 52.7 tt0 -133.42 157.58 45.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 12.0 mmt180 -94.0 161.74 14.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.3 m -106.8 -5.93 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.5 mttm -85.68 -47.35 9.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' O ' ' C ' ' A' ' 59' ' ' ALA . 5.6 m-20 -135.08 102.87 5.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.846 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.44 -42.86 0.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.81 69.62 2.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.066 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -169.28 129.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.617 ' CE1' HD11 ' A' ' 23' ' ' LEU . 48.4 m-85 -128.8 177.62 6.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -156.0 165.66 35.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 98' ' ' LEU . 16.4 mt -129.99 118.65 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.635 ' HB2' HD11 ' A' ' 51' ' ' LEU . 50.4 m -113.2 117.28 31.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.463 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -130.35 141.01 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.086 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.478 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 15.1 tptm -87.32 137.4 32.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -174.46 135.36 0.42 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.666 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.0 t-20 66.47 51.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.848 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 46.31 25.83 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 5.2 mm-40 -152.39 136.87 16.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.407 HG21 ' HA ' ' A' ' 39' ' ' GLU . 18.7 t -94.49 124.65 47.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.128 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.613 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 53.0 mmtt -100.24 170.82 8.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.613 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.5 OUTLIER -150.58 141.41 22.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.729 HD11 HD23 ' A' ' 107' ' ' LEU . 26.2 mt -121.99 128.33 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.5 ttmm -87.67 126.61 35.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -100.16 135.48 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 15.8 mtm -108.22 148.76 29.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 70.6 p -143.1 127.61 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.175 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -117.63 -69.25 0.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.52 47.04 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.89 26.94 63.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.9 mt -123.58 139.55 53.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 110.865 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.519 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 0.5 OUTLIER -117.3 128.83 55.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.917 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -162.44 139.23 7.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.507 HG21 HG21 ' A' ' 75' ' ' ILE . 2.9 pt -90.79 -19.89 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.419 ' CG2' ' HB3' ' B' ' 10' ' ' PRO . 11.5 p -140.99 166.55 24.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -75.76 -26.35 57.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -69.0 -59.45 3.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.23 150.24 22.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -154.16 168.83 25.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.558 ' CE1' ' HG ' ' A' ' 98' ' ' LEU . 20.8 m-85 -140.44 169.53 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.39 -20.65 14.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.519 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -150.05 152.53 24.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.482 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.718 HD21 HG11 ' A' ' 52' ' ' VAL . 23.2 tp -57.21 -35.24 69.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.873 0.368 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.6 m -57.59 -63.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -51.64 -45.87 63.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.558 ' HG ' ' CE1' ' A' ' 92' ' ' PHE . 7.5 tt -48.66 -42.76 35.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.941 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 92.4 t -79.83 -45.38 22.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.78 -5.66 13.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.519 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 43.2 t80 -96.92 -51.16 4.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 104' ' ' GLN . 2.3 m-85 -47.88 -47.29 31.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.951 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.407 ' HG2' ' HB2' ' A' ' 118' ' ' LEU . 72.1 mt-30 -43.2 -22.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.881 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 102' ' ' TYR . 9.6 mt-30 -102.73 -35.81 8.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -104.84 114.15 28.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.407 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 9.1 t -61.92 136.09 57.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.729 HD23 HD11 ' A' ' 75' ' ' ILE . 7.5 mp -59.42 -10.42 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.4 ptmt -64.85 -16.9 63.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -72.34 -47.81 46.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 40.6 m -95.11 -50.2 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.412 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.4 m-85 -95.73 123.31 39.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -15.34 59.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 38.2 m -78.22 -53.7 7.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.723 HD13 ' CD2' ' A' ' 107' ' ' LEU . 3.0 mt -82.87 114.71 21.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -105.34 24.43 12.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.0 t -141.31 163.89 31.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.127 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.473 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -115.13 174.18 6.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 1.8 mp -61.22 109.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.485 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 25.6 mm-40 -87.95 -49.2 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.485 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 2.2 m-85 -142.9 138.39 15.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.644 0.735 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.22 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.653 2.236 . . . . 0.0 112.375 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.404 ' CE2' ' HG2' ' A' ' 123' ' ' LYS . 0.7 OUTLIER -75.39 -40.17 58.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.404 ' HG2' ' CE2' ' A' ' 122' ' ' PHE . 3.4 mtpm? -85.03 -65.65 0.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -175.04 151.28 1.35 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.656 0.741 . . . . 0.0 110.868 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 148.8 65.84 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.652 2.235 . . . . 0.0 112.359 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -94.96 153.44 17.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.18 40.76 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.929 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.9 tpt180 -173.93 131.72 0.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 129' ' ' THR . 5.5 t -134.38 120.21 19.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.66 ' O ' HG23 ' A' ' 130' ' ' ILE . 6.2 tp -122.78 45.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.146 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 45.0 p -86.73 125.71 34.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.406 ' N ' ' HD3' ' A' ' 132' ' ' ARG . 0.0 OUTLIER -126.74 -29.81 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.834 -179.89 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.1 t -162.04 133.58 5.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -100.39 -164.2 28.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 95.48 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.623 2.215 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.7 t -89.33 137.99 31.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 98.1 p -165.37 174.97 9.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.189 -0.784 . . . . 0.0 112.514 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -138.45 141.36 39.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.48 121.1 43.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -120.32 103.28 9.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.34 60.24 0.34 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -93.84 -29.61 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.416 ' HD2' ' C ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.548 ' HG3' HD12 ' A' ' 114' ' ' LEU . 3.8 mm-40 -45.22 146.8 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.855 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 3.9 m -112.23 138.9 21.98 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.649 0.738 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.419 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.5 Cg_endo -69.79 163.03 39.82 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.687 2.258 . . . . 0.0 112.37 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -73.28 144.34 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -87.58 -44.55 11.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -43.73 -51.01 7.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.28 154.67 12.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -58.82 -50.49 73.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.866 0.365 . . . . 0.0 110.896 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 p -104.09 94.9 5.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.18 139.33 3.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.501 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -96.32 166.7 11.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.0 m -94.95 -48.32 6.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.85 -170.17 23.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.475 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 tptt -149.58 158.18 43.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.775 0.322 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -158.16 152.83 24.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.082 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -165.7 137.24 3.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -173.18 174.48 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -46.88 167.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -134.05 -54.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -127.61 155.4 43.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 21.3 p90 -100.17 -49.9 4.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -44.41 169.05 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -130.59 85.08 2.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.76 74.67 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 118.15 5.51 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.8 Cg_endo -69.76 101.09 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.678 2.252 . . . . 0.0 112.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' PRO . 74.3 mt-30 35.64 42.52 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 23' ' ' LEU . 17.4 t70 -51.22 168.17 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.765 HD11 ' CE1' ' A' ' 62' ' ' PHE . 24.4 mt -51.39 -18.5 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 6.0 p -52.64 -37.51 58.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.7 m -51.7 -17.46 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.171 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -92.39 147.04 23.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.471 ' CD2' ' HB2' ' A' ' 126' ' ' GLU . 7.0 tp -59.31 -9.61 2.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.696 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 12.3 p-90 -131.87 127.65 36.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 t80 -148.65 146.11 28.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.923 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -151.31 110.56 3.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.4 -155.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.472 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.79 4.76 2.02 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.255 . . . . 0.0 112.349 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.571 ' HE1' HD12 ' A' ' 41' ' ' ILE . 8.1 ttp -32.53 147.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -85.5 174.43 9.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' C ' ' HD2' ' A' ' 35' ' ' ARG . 8.1 tmm_? -55.16 -61.69 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -32.51 17.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.091 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -72.13 -30.16 65.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.468 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.65 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -76.91 -63.2 1.41 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.075 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HA ' HG11 ' A' ' 72' ' ' VAL . 17.0 mt-10 -38.24 -53.94 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 9.8 t -45.39 -52.17 10.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.83 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.571 HD12 ' HE1' ' A' ' 33' ' ' MET . 34.3 mt -48.05 -70.83 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.731 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -50.98 -26.96 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -69.07 -62.2 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.129 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -59.78 -45.48 92.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -49.8 -75.33 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 m -175.22 -176.65 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.83 104.23 16.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.843 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.81 -1.58 9.28 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.454 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.462 HG22 ' N ' ' A' ' 50' ' ' PHE . 10.2 m -64.94 160.25 21.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.786 ' CG ' HD22 ' A' ' 118' ' ' LEU . 21.0 p90 -152.91 168.52 25.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.557 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.7 pp -161.18 177.11 10.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.917 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.923 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.94 117.53 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.108 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 8.8 mtm-85 -108.53 164.2 12.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.479 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 53.1 tt0 -115.39 159.99 20.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 ttm180 -93.72 172.7 8.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.8 -33.42 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -56.45 -46.68 80.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.468 ' CB ' ' OE1' ' A' ' 61' ' ' GLU . 20.3 m-20 -142.48 131.75 23.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.66 -33.4 66.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.076 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.447 ' O ' ' CD ' ' A' ' 61' ' ' GLU . . . -78.48 57.72 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.105 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' OE1' ' CB ' ' A' ' 58' ' ' ASP . 17.1 mp0 -151.22 161.53 42.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.765 ' CE1' HD11 ' A' ' 23' ' ' LEU . 38.2 m-85 -162.85 175.04 11.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.82 164.08 38.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.074 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.462 HG13 HD11 ' A' ' 77' ' ' ILE . 71.7 mt -134.95 100.52 2.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 50' ' ' PHE . 32.1 t -93.97 141.83 28.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.523 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -146.92 144.41 19.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.453 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.5 tptp -92.79 132.9 36.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.44 ' HB2' HG21 ' A' ' 116' ' ' THR . 5.4 t80 -175.15 137.99 0.42 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.665 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.9 t-20 66.21 52.21 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.25 24.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -154.17 138.04 16.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 39' ' ' GLU . 43.5 t -97.14 119.38 45.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.513 ' CG ' HD11 ' A' ' 114' ' ' LEU . 24.0 mmtt -95.44 167.72 11.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.442 ' HB2' ' CD1' ' B' ' 7' ' ' PTR . 12.3 m-70 -137.77 140.66 40.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.843 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.51 HG12 ' CG ' ' B' ' 8' ' ' GLU . 7.8 mt -121.39 115.64 47.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.1 ttpp -78.34 141.54 38.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.694 HD13 HD13 ' A' ' 95' ' ' LEU . 57.5 mt -113.57 131.43 65.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 31.9 mtm -104.09 148.95 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 52.3 p -144.64 131.73 20.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.06 -58.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -116.65 44.24 2.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.52 31.29 61.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.4 HD22 ' O ' ' A' ' 92' ' ' PHE . 37.8 mt -123.7 145.42 48.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 0.0 110.923 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.518 ' CD2' ' HB2' ' A' ' 95' ' ' LEU . 2.3 m-85 -114.15 121.51 43.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -154.0 141.74 20.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.035 HD12 HG23 ' A' ' 87' ' ' THR . 2.1 pp -101.67 -13.23 8.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.035 HG23 HD12 ' A' ' 86' ' ' ILE . 1.4 p -148.81 127.03 12.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -42.77 -24.36 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.408 ' N ' ' C ' ' A' ' 87' ' ' THR . 25.3 mmmt -68.66 -51.5 41.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.477 ' CG ' ' CE1' ' A' ' 92' ' ' PHE . 5.6 tppp? -100.61 146.78 26.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -148.86 134.23 18.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.085 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.539 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 0.8 OUTLIER -116.22 172.66 7.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.892 -179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.57 -31.67 12.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -148.02 141.94 9.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.542 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.694 HD13 HD13 ' A' ' 77' ' ' ILE . 47.5 tp -43.93 -42.63 6.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.89 0.376 . . . . 0.0 110.941 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 29.3 m -44.75 -70.29 0.11 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.11 -51.98 12.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.527 ' HA ' ' CE2' ' A' ' 92' ' ' PHE . 6.1 tt -43.93 -37.71 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.747 HG13 ' CD1' ' A' ' 118' ' ' LEU . 93.0 t -85.68 -47.34 16.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.2 -5.24 12.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.526 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 75.6 t80 -97.23 -49.56 4.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.624 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.5 m-85 -53.04 -31.6 42.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.929 -179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -60.55 -11.24 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -115.04 -14.07 11.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -130.38 109.81 11.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.6 m -45.97 134.11 8.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.624 HD23 ' CE1' ' A' ' 102' ' ' TYR . 14.1 mt -60.37 -15.85 29.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.432 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 6.5 ptmt -56.12 -22.46 28.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -52.96 -31.62 41.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 13.3 m -120.85 -48.68 2.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.921 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.574 ' CE2' ' HG2' ' B' ' 8' ' ' GLU . 2.7 m-85 -92.18 85.5 5.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -41.49 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 96.8 p -57.49 -54.21 49.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.871 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 73' ' ' LYS . 5.9 mp -79.72 100.25 7.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.432 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 6.4 t70 -96.79 34.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.483 ' O ' HD12 ' A' ' 107' ' ' LEU . 13.9 t -141.2 157.33 45.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.66 160.65 21.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.786 HD22 ' CG ' ' A' ' 50' ' ' PHE . 60.4 mt -43.12 109.85 0.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -89.87 -51.99 5.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -142.32 138.66 16.76 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.663 0.744 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.411 ' CB ' ' HB3' ' A' ' 28' ' ' TRP . 53.7 Cg_endo -69.75 -166.44 0.19 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.676 2.25 . . . . 0.0 112.365 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' A' ' 123' ' ' LYS . 0.6 OUTLIER -72.77 -51.8 17.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.882 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.409 ' N ' ' CD1' ' A' ' 122' ' ' PHE . 33.0 mttt -69.86 -69.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -174.87 150.76 1.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.643 0.735 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 144.49 54.41 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.373 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.471 ' HB2' ' CD2' ' A' ' 27' ' ' LEU . 22.7 mm-40 -152.28 165.32 35.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.873 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -145.82 171.43 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -154.69 130.97 10.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 68.8 p -106.2 41.35 1.43 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.4 tp -50.38 -36.91 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.3 p -151.63 162.89 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -92.27 -49.8 5.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 22.7 m -148.64 139.26 22.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.821 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -162.81 114.32 0.6 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.34 50.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.264 . . . . 0.0 112.386 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 91.9 p -102.35 152.33 21.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 34.3 p -104.66 -44.53 4.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.516 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 58.8 mt-10 -125.35 157.84 35.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 34.7 m-20 -101.76 114.77 29.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -84.87 -43.29 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 50.3 65.6 2.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.471 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -95.43 -39.03 10.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.835 0.35 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 74' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.574 ' HG2' ' CE2' ' A' ' 111' ' ' PHE . 0.0 OUTLIER -41.83 163.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.913 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t -134.98 133.38 20.91 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.641 0.734 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.417 ' HB3' HG21 ' A' ' 87' ' ' THR . 53.8 Cg_endo -69.76 177.17 5.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.727 2.285 . . . . 0.0 112.35 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -91.57 122.8 34.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -85.72 -31.86 22.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.92 -67.87 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -43.14 113.18 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.8 m -57.12 150.87 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 m -109.65 174.4 5.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.88 -142.33 8.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -44.04 116.63 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.885 0.374 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t 58.5 41.96 21.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.75 98.65 0.72 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -135.8 163.24 30.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.787 0.327 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -114.54 134.72 54.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.108 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -148.6 166.46 28.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.64 144.83 6.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 40.7 mt-10 -123.27 100.32 6.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 28.1 mt-30 -164.32 178.07 7.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -39.83 121.58 1.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.429 ' O ' ' CG ' ' A' ' 15' ' ' TRP . 8.6 p-90 -117.67 31.42 6.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 6.2 p90 -120.57 122.56 40.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -155.4 104.99 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -115.09 63.66 0.32 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 164.44 34.6 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.683 2.255 . . . . 0.0 112.309 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.75 -166.52 0.19 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' PRO . 25.4 mt-30 -36.13 112.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.406 ' C ' ' N ' ' A' ' 24' ' ' SER . 23.7 t0 -134.92 161.73 34.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD11 ' CE1' ' A' ' 62' ' ' PHE . 20.1 mt -43.77 -22.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.406 ' N ' ' C ' ' A' ' 22' ' ' ASP . 36.6 p -45.74 -43.48 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.413 HG23 ' N ' ' A' ' 26' ' ' HIS . 28.4 m -42.67 -40.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.413 ' N ' HG23 ' A' ' 25' ' ' VAL . 98.8 m-70 -69.02 152.5 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 124' ' ' GLU . 7.7 tp -66.2 -3.45 5.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.765 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 13.6 p-90 -138.0 127.27 24.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -149.6 145.06 26.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.891 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.39 109.89 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.087 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -154.54 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.77 5.72 1.59 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.475 ' C ' ' O ' ' A' ' 32' ' ' PRO . 3.1 ttp -31.24 143.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -77.78 160.69 28.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 74' ' ' HIS . 7.3 tmm_? -43.47 -62.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.54 -31.53 4.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -64.88 -34.19 89.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.474 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.894 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -77.24 -60.66 2.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 111.148 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.625 ' HA ' HG11 ' A' ' 72' ' ' VAL . 25.8 mt-10 -38.12 -57.7 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.447 ' O ' ' HB3' ' A' ' 43' ' ' ALA . 1.2 t -49.57 -46.62 49.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.831 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.521 HG22 HD13 ' A' ' 42' ' ' LEU . 89.7 mt -55.62 -71.54 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -49.65 -17.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 40' ' ' SER . . . -82.24 -63.45 1.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.136 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -61.82 -25.88 67.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -67.61 -76.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 p -176.1 169.46 2.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -78.93 97.68 6.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.873 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 127.41 4.76 5.74 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.461 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 m -72.48 153.86 41.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.798 0.332 . . . . 0.0 111.155 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.764 ' CG ' HD22 ' A' ' 118' ' ' LEU . 10.9 p90 -148.25 169.23 20.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD21 ' HB2' ' A' ' 65' ' ' SER . 1.1 pt? -162.83 177.26 9.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.891 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -120.82 117.97 54.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.458 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 4.9 mtm105 -105.01 170.06 8.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.848 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 43.1 tt0 -128.76 158.88 37.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 11.7 tpt180 -96.22 150.17 20.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 18.6 m -86.77 -40.57 14.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.51 -52.36 8.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -145.17 137.65 26.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.68 41.26 0.55 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -134.21 42.61 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 62' ' ' PHE . 19.7 mp0 -158.15 175.34 13.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.688 ' CE1' HD11 ' A' ' 23' ' ' LEU . 60.9 m-85 -162.24 176.12 10.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.06 164.37 38.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.3 mt -133.1 101.3 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.677 ' HB2' HD21 ' A' ' 51' ' ' LEU . 70.0 m -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.51 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -137.93 143.04 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.133 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' N ' HG12 ' A' ' 66' ' ' ILE . 20.1 tptm -88.51 128.63 35.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CZ ' ' OD1' ' A' ' 115' ' ' ASP . 1.0 OUTLIER -164.72 136.89 4.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.666 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.2 t-20 62.85 52.66 2.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.666 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.43 25.09 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -150.46 132.49 15.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 39' ' ' GLU . 24.6 t -92.07 118.49 37.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.53 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 69.1 mmtt -94.38 172.11 8.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.53 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 0.6 OUTLIER -148.89 139.06 22.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.832 179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.467 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.2 mp -120.74 130.67 74.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.9 tttt -85.05 136.23 33.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.423 HD13 HD13 ' A' ' 95' ' ' LEU . 55.9 mt -108.47 131.95 57.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 40.5 mtm -104.15 154.83 19.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 83' ' ' LEU . 20.5 p -151.09 134.78 16.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -125.0 -68.73 0.83 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -110.43 49.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.923 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.98 27.79 68.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 79' ' ' THR . 64.8 mt -117.89 145.71 44.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.325 . . . . 0.0 110.973 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.433 ' CD1' ' HA2' ' A' ' 94' ' ' GLY . 8.0 m-85 -117.77 124.05 47.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -160.82 139.37 10.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.714 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -101.23 -13.41 8.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.714 HG23 HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -148.48 125.87 11.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -44.19 -28.24 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -56.78 -53.32 59.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.526 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 29.7 tptt -113.74 140.59 48.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.15 142.06 44.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 1.6 m-85 -122.91 168.94 11.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -87.11 -49.02 7.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.433 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -132.58 153.45 20.64 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.423 HD13 HD13 ' A' ' 77' ' ' ILE . 59.8 tp -50.65 -41.78 55.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 110.938 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.2 m -48.34 -62.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.32 -53.87 38.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 6.7 tt -43.12 -38.8 2.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.768 HG13 ' CD1' ' A' ' 118' ' ' LEU . 85.7 t -81.6 -46.6 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.162 179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -65.62 -5.33 7.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -96.23 -47.94 5.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.416 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.7 m-85 -53.53 -44.25 69.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.967 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -44.31 -21.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.1 mp0 -106.93 -28.71 9.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -111.09 112.22 23.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.9 t -48.47 131.38 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.877 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.932 HD12 ' O ' ' A' ' 116' ' ' THR . 8.8 mt -52.57 -15.9 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.932 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.4 pttm -62.84 -23.59 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -52.27 -41.81 63.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 86.8 m -99.45 -59.43 1.72 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.514 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 50.7 m-85 -84.59 168.71 15.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 tppt? -101.83 -59.1 1.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.8 t -47.86 -53.9 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.81 103.69 0.95 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.55 ' OD1' ' CZ ' ' A' ' 68' ' ' TYR . 0.6 OUTLIER -104.0 14.33 30.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.851 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.932 ' O ' HD12 ' A' ' 107' ' ' LEU . 13.4 t -136.71 156.51 48.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.99 166.9 10.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.768 ' CD1' HG13 ' A' ' 99' ' ' VAL . 43.4 mt -45.78 112.24 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -91.37 -51.69 5.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -140.36 134.62 15.49 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.4 ' HG2' ' O ' ' A' ' 124' ' ' GLU . 53.8 Cg_endo -69.74 178.92 4.07 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.476 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 1.2 t80 -59.63 -48.95 79.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.476 ' HG2' ' CD2' ' A' ' 122' ' ' PHE . 14.5 mtpt -72.32 -70.42 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.488 ' O ' ' CD2' ' A' ' 27' ' ' LEU . 6.1 pt-20 -176.15 152.58 1.23 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.662 0.744 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.24 39.81 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.74 2.294 . . . . 0.0 112.332 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -86.65 166.26 15.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -109.6 139.16 44.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.6 tpp180 -174.84 153.83 1.79 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 69.0 p -141.44 140.56 33.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 12.9 tt -174.74 144.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 8.4 t -106.95 -63.19 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 33.6 ttm-85 -57.53 139.54 53.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.834 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 21.8 m -97.9 43.19 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 62.08 -154.22 40.85 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 179.38 3.77 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.692 2.261 . . . . 0.0 112.332 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 17.0 p -130.03 -31.49 1.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 3.7 t -104.91 106.53 17.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.476 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -89.35 94.84 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -101.57 85.26 2.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -43.19 -55.27 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -81.01 75.23 2.31 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.473 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -126.61 -43.07 1.75 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.761 0.315 . . . . 0.0 110.868 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.421 ' HD1' ' C ' ' A' ' 74' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -53.77 142.36 23.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 67.3 m -101.34 135.61 19.83 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.401 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.9 Cg_endo -69.76 155.23 66.46 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.685 2.257 . . . . 0.0 112.339 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.508 ' ND2' ' C ' ' A' ' 111' ' ' PHE . 7.2 m-80 -54.14 131.41 41.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.403 ' O ' ' C ' ' B' ' 13' ' ' GLU . 4.3 pt-20 -39.05 -57.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 12' ' ' GLU . 32.1 mm-40 -37.31 -45.33 0.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.77 95.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 t 56.89 42.64 26.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -159.43 148.13 17.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.38 106.26 0.19 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.516 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -59.9 173.95 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.907 0.385 . . . . 0.0 110.851 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.7 p -151.07 112.68 4.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.99 -176.79 32.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.47 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.4 mttp -126.13 146.52 49.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.33 . . . . 0.0 110.919 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -126.32 169.21 13.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -93.61 42.05 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 53.67 42.54 31.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.05 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -111.03 102.92 11.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -131.77 54.48 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -85.76 12.76 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 58.2 m95 -80.13 42.93 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -87.34 95.72 10.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -115.23 85.97 2.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 41.73 70.61 0.43 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.486 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 129.91 18.33 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -172.54 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.653 2.235 . . . . 0.0 112.359 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -38.4 103.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.814 ' O ' HG22 ' A' ' 25' ' ' VAL . 34.6 t0 -132.16 162.89 29.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.93 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 27.3 mt -53.28 -20.82 4.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.1 p -52.86 -35.6 57.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.814 HG22 ' O ' ' A' ' 22' ' ' ASP . 15.0 m -50.01 -27.65 3.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.099 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -81.92 153.12 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.86 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.8 mt -66.96 -3.68 7.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.686 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 19.9 p-90 -137.44 127.59 26.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -149.68 145.77 26.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.98 110.57 3.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.07 -151.93 0.14 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.0 Cg_endo -69.69 4.31 2.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.718 2.279 . . . . 0.0 112.352 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.483 ' HE1' HD12 ' A' ' 41' ' ' ILE . 12.6 ttp -32.72 133.32 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.435 ' O ' ' C ' ' A' ' 35' ' ' ARG . 7.1 pt-20 -69.82 154.19 42.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.4 tmm_? -34.97 -64.88 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.68 -45.65 28.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.458 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -47.56 -34.59 9.99 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.507 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.543 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -79.29 -51.17 9.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.65 ' HA ' HG21 ' A' ' 72' ' ' VAL . 41.1 mt-10 -38.49 -54.1 1.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.2 t -50.97 -50.15 58.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.483 HD12 ' HE1' ' A' ' 33' ' ' MET . 15.2 mt -54.51 -59.48 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.127 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.429 ' CB ' ' HB2' ' A' ' 67' ' ' LYS . 6.5 mt -70.79 -14.59 62.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -76.91 -62.51 1.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.102 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -58.32 -42.25 86.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 45' ' ' ARG . 1.6 mpt_? -60.21 -174.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 67.2 m -78.0 147.44 34.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -59.21 104.4 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.67 -1.83 2.97 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.42 ' C ' HD22 ' A' ' 42' ' ' LEU . 17.6 m -66.42 156.87 33.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.838 0.352 . . . . 0.0 111.122 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.626 ' CZ ' ' OE1' ' A' ' 103' ' ' GLN . 17.9 p90 -149.81 175.22 11.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -170.18 177.44 4.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.686 HG21 ' CZ3' ' A' ' 28' ' ' TRP . 2.4 t -123.14 105.27 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.543 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 12.1 mtm105 -96.88 169.2 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.466 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 29.8 tt0 -126.89 155.15 43.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.91 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.495 ' NE ' ' O1P' ' B' ' 7' ' ' PTR . 39.1 mtt-85 -93.85 156.04 16.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 89.5 t -102.0 -35.62 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.163 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -45.77 -46.91 15.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -152.77 119.42 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -53.0 -174.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 60.05 47.31 9.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -157.03 141.7 16.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.93 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 42.5 m-85 -129.77 173.19 10.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.03 141.58 19.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.963 HG13 HD11 ' A' ' 77' ' ' ILE . 49.2 mt -107.25 108.29 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.088 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.486 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 10.5 t -105.82 118.48 36.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.821 -179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.508 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -126.53 142.27 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.165 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 42' ' ' LEU . 15.2 tptm -91.75 125.2 36.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.435 ' HB2' HG21 ' A' ' 116' ' ' THR . 2.2 t80 -162.76 134.96 5.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.603 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.0 t-20 71.62 52.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.1 m 44.45 24.99 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -149.14 136.32 19.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.65 HG21 ' HA ' ' A' ' 39' ' ' GLU . 97.6 t -89.95 124.92 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.112 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.464 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 47.5 mmtt -106.18 162.97 13.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.486 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 1.0 OUTLIER -148.0 144.88 28.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.477 ' CA ' ' HD1' ' B' ' 7' ' ' PTR . 36.9 mt -129.91 135.03 62.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -85.25 128.45 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.963 HD11 HG13 ' A' ' 64' ' ' ILE . 41.8 mt -104.29 132.17 51.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 69.4 mtm -96.26 164.41 12.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.6 p -137.17 136.45 38.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.11 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.484 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -137.71 109.82 7.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 48.8 45.69 21.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.56 24.63 53.2 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.484 HD12 ' O ' ' A' ' 80' ' ' ALA . 30.2 mt -106.73 -179.69 4.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.842 0.353 . . . . 0.0 110.926 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 27.9 m-85 -152.87 120.6 6.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 31.8 ptt180 -158.35 136.42 10.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.046 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -99.15 -11.97 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.046 HG23 HD12 ' A' ' 86' ' ' ILE . 8.1 p -144.21 136.59 26.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.139 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -52.44 -21.48 3.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -79.01 -52.55 8.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.597 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 0.5 OUTLIER -89.7 151.99 21.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.566 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -155.31 156.58 35.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.597 ' CE1' ' HG3' ' A' ' 90' ' ' LYS . 1.2 m-85 -143.26 173.98 11.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 3.9 tpt180 -95.49 -38.82 10.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.526 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -138.84 153.71 22.82 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.618 HD22 ' CD2' ' A' ' 62' ' ' PHE . 62.7 tp -51.47 -48.56 62.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.888 0.375 . . . . 0.0 110.913 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -46.77 -68.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.426 ' CD ' ' H ' ' A' ' 97' ' ' GLU . 6.6 mp0 -41.47 -45.14 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.482 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 7.2 tt -55.52 -42.46 74.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.602 HG21 ' CH2' ' A' ' 28' ' ' TRP . 96.8 t -77.43 -53.67 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -62.64 -6.88 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.493 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 48.8 t80 -94.62 -49.94 5.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.45 -38.12 65.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.626 ' OE1' ' CZ ' ' A' ' 50' ' ' PHE . 3.5 mt-30 -52.7 -15.59 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -110.91 -31.29 7.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.493 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 3.6 m-80 -104.45 113.53 27.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.899 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.0 t -56.63 123.12 13.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.442 HD23 ' CD1' ' A' ' 75' ' ' ILE . 8.4 mp -55.26 -17.27 4.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -53.47 -21.31 5.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.888 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -71.35 -33.99 70.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 20.8 m -101.35 -60.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.716 ' CE2' HD13 ' A' ' 86' ' ' ILE . 77.5 m-85 -99.53 92.4 5.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.44 ' CE ' ' OD1' ' B' ' 11' ' ' ASN . 0.0 OUTLIER -46.29 -22.89 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 58.2 m -66.48 -52.26 48.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.12 91.83 8.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -85.94 39.68 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.435 HG21 ' HB2' ' A' ' 68' ' ' TYR . 13.7 t -155.45 159.64 39.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.13 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -112.18 170.89 7.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.152 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.533 ' HB3' ' CE1' ' A' ' 50' ' ' PHE . 1.1 mp -57.51 111.05 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.531 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 33.9 mm-40 -88.99 -47.58 8.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.7 m-85 -145.7 137.81 13.37 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.662 0.744 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.442 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.76 -168.09 0.26 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.313 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -74.1 -36.1 64.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -90.05 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.442 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 9.5 pt-20 -174.75 149.81 1.31 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.677 0.751 . . . . 0.0 110.881 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -173.9 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.737 2.291 . . . . 0.0 112.349 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -158.12 144.01 17.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -98.48 -59.17 1.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.6 mtt180 -42.93 137.31 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.414 ' C ' HG13 ' A' ' 130' ' ' ILE . 0.6 OUTLIER -158.48 145.74 17.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.414 HG13 ' C ' ' A' ' 129' ' ' THR . 2.3 mt 58.27 51.05 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.118 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 24.8 m -79.51 -44.26 21.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 55.2 mtt180 -138.37 139.52 39.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 25.5 p -114.28 136.46 52.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.411 ' HA2' ' HD2' ' A' ' 135' ' ' PRO . . . 124.23 106.39 1.7 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.411 ' HD2' ' HA2' ' A' ' 134' ' ' GLY . 54.1 Cg_endo -69.73 -39.67 6.28 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.9 m -129.06 139.95 51.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.84 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.5 t -106.29 114.55 28.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.485 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -72.99 82.53 1.23 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.927 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -167.71 152.33 6.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -130.59 128.64 41.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.35 72.7 0.48 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.477 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -83.87 -31.9 25.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.495 ' O1P' ' NE ' ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -46.22 155.55 0.2 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 82.9 p -108.38 128.93 24.73 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.63 0.729 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 156.34 63.51 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.641 2.228 . . . . 0.0 112.385 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.44 ' OD1' ' CE ' ' A' ' 112' ' ' LYS . 17.4 m-20 -70.56 109.08 4.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.517 ' CD ' ' N ' ' B' ' 13' ' ' GLU . 2.8 pp20? -79.41 -56.68 4.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.517 ' N ' ' CD ' ' B' ' 12' ' ' GLU . 8.2 pt-20 -42.94 -51.15 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.908 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -93.86 118.96 32.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.867 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 p -165.25 153.45 11.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.863 0.364 . . . . 0.0 110.866 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -160.66 176.42 11.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.85 149.37 21.5 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.9 p -137.49 161.28 36.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.833 0.349 . . . . 0.0 110.866 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.9 p -121.16 113.54 20.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.61 178.51 48.82 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.448 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 76.2 mttt -133.72 41.79 3.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.778 0.323 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -172.05 105.36 0.19 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -101.15 114.6 28.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -172.52 141.5 1.16 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.148 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.91 41.02 1.18 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -159.09 156.71 29.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -124.82 141.13 52.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.428 ' CG ' ' N ' ' A' ' 16' ' ' TRP . 12.5 p-90 -117.25 -41.9 2.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.951 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.455 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -49.26 122.13 5.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.969 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -134.86 84.58 2.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 56.99 63.98 4.83 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.515 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 53.6 Cg_endo -69.79 119.92 6.78 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.682 2.255 . . . . 0.0 112.331 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 19' ' ' PRO . 53.8 Cg_endo -69.75 178.52 4.49 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.631 2.221 . . . . 0.0 112.358 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -85.2 33.17 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.857 ' O ' HG22 ' A' ' 25' ' ' VAL . 62.3 m-20 -74.13 151.28 40.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.6 HD21 HD23 ' A' ' 95' ' ' LEU . 17.7 mt -44.95 -25.87 0.36 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.7 t -52.37 -46.23 66.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 22' ' ' ASP . 21.3 m -39.95 -36.49 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -74.17 155.5 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.425 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.1 mt -69.24 -1.34 7.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.617 ' CE2' HG11 ' A' ' 99' ' ' VAL . 16.4 p-90 -139.0 125.99 21.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -150.88 147.3 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.907 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.97 109.5 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.113 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.35 -154.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.2 Cg_endo -69.68 6.55 1.24 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.352 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 2.6 ttp -34.41 152.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.824 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -86.37 175.25 8.51 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 36' ' ' ALA . 7.4 tmm_? -54.47 -60.93 2.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.469 ' N ' ' HD2' ' A' ' 35' ' ' ARG . . . -46.44 -35.03 5.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.117 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -66.04 -30.5 77.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.832 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . . . -76.27 -66.9 0.74 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.785 0.326 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.55 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 17.9 mt-10 -41.64 -42.2 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.3 t -53.99 -44.67 71.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.865 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 81.0 mt -60.51 -71.71 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.722 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -56.34 -13.09 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.55 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -82.66 -56.48 3.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -70.42 -32.32 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 7.1 mpt_? -74.08 176.15 6.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 m -56.58 163.01 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.76 120.62 21.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.11 6.06 24.54 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.2 m -66.61 157.86 31.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.804 0.335 . . . . 0.0 111.144 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.793 ' CG ' HD22 ' A' ' 118' ' ' LEU . 17.0 p90 -152.4 171.58 17.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.526 HD11 HH21 ' A' ' 53' ' ' ARG . 1.8 pp -170.19 177.43 4.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.907 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.7 t -122.95 121.41 63.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.832 ' CZ ' ' HB2' ' A' ' 38' ' ' ALA . 3.3 ptp180 -126.03 142.67 51.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.472 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 50.4 tt0 -91.41 159.17 16.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.948 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 23.5 mtp180 -96.51 141.92 29.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 30.0 m -90.29 -37.77 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -45.47 -39.74 7.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -157.34 115.25 3.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.86 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -51.87 177.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.468 ' O ' ' CG ' ' A' ' 61' ' ' GLU . . . 60.68 48.6 7.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.051 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.468 ' CG ' ' O ' ' A' ' 60' ' ' ALA . 40.6 mt-10 -163.67 122.94 2.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.521 ' CE1' HD11 ' A' ' 23' ' ' LEU . 53.0 m-85 -113.7 176.02 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 75' ' ' ILE . . . -154.63 161.33 41.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.066 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 mt -128.71 108.25 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.1 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 75.0 m -101.44 125.68 48.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.529 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -132.16 145.7 34.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.124 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.452 ' N ' HG12 ' A' ' 66' ' ' ILE . 11.4 tptp -91.69 126.38 36.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -169.95 143.88 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.651 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.42 52.58 1.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.651 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 45.91 25.24 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -156.85 152.17 26.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.925 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.415 HG11 ' HA ' ' A' ' 39' ' ' GLU . 88.3 t -97.32 123.18 49.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.506 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 62.5 mmtt -96.0 155.02 16.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.92 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.506 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.3 m-70 -142.61 139.7 31.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.593 HD11 ' CD1' ' A' ' 114' ' ' LEU . 48.2 mt -126.89 141.31 46.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 tttt -94.79 137.59 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 62' ' ' PHE . 49.9 mt -108.02 138.26 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 19.9 mtm -111.11 146.09 37.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 83' ' ' LEU . 70.7 p -141.7 139.97 33.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.186 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.5 -71.33 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -109.9 48.72 0.88 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 77.29 26.16 62.21 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.487 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 93' ' ' ARG . 14.7 mt -117.77 150.46 39.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.568 ' CE1' ' HA2' ' A' ' 94' ' ' GLY . 1.1 m-85 -121.89 124.93 45.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -159.0 129.9 6.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.02 HD12 HG23 ' A' ' 87' ' ' THR . 2.7 pp -88.89 -9.87 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.127 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.02 HG23 HD12 ' A' ' 86' ' ' ILE . 5.9 p -144.5 164.01 32.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -79.59 -35.73 39.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -64.4 -50.97 65.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.592 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 7.6 tmtm? -107.9 131.15 54.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -136.53 161.68 35.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.592 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 6.7 m-85 -130.94 171.98 12.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.535 ' HA ' HD23 ' A' ' 83' ' ' LEU . 22.6 mtt180 -94.96 -38.59 10.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.568 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -139.27 164.35 25.91 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.468 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.6 HD23 HD21 ' A' ' 23' ' ' LEU . 41.5 tp -58.77 -49.78 76.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.891 0.377 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 40.1 m -46.14 -65.87 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.8 mp0 -44.52 -52.79 7.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.556 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.6 tt -50.46 -28.93 9.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.617 HG11 ' CE2' ' A' ' 28' ' ' TRP . 55.7 t -87.58 -48.77 15.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -65.47 -5.25 7.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.561 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 89.3 t80 -94.91 -48.83 5.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.14 -39.05 66.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -51.42 -21.15 2.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.967 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -108.99 -28.2 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.561 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 7.6 m-80 -110.96 112.1 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.5 t -55.28 141.41 35.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.729 ' CD2' HD13 ' A' ' 114' ' ' LEU . 10.1 mp -66.44 -12.76 58.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.2 pttp -67.37 -16.27 64.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -68.94 -40.52 78.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.62 -42.24 6.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.616 ' HE1' HD13 ' A' ' 86' ' ' ILE . 6.3 m-85 -101.35 169.92 8.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.53 -17.26 10.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 5.4 t -86.0 -35.72 20.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.844 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.729 HD13 ' CD2' ' A' ' 107' ' ' LEU . 8.9 mt -94.07 102.73 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.32 27.28 5.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.4 t -147.27 155.04 41.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.495 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -112.16 159.81 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.793 HD22 ' CG ' ' A' ' 50' ' ' PHE . 36.3 mt -39.6 105.12 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.508 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 43.5 mt-30 -85.52 -49.25 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 4.4 m-85 -145.2 133.89 10.96 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -164.03 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.712 2.275 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -84.73 -51.24 6.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 12.5 mmtt -56.68 -69.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -172.37 153.66 2.99 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.618 0.723 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 135.02 29.57 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.676 2.251 . . . . 0.0 112.374 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -157.39 156.19 31.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -127.97 134.89 49.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 56.1 ttm-85 -160.93 163.0 32.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.1 p -115.46 -52.99 2.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.5 mt -79.26 131.97 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 92.2 p -142.37 147.52 36.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 66.2 mtp85 -44.73 150.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 28.5 p -112.17 -48.9 3.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 67.07 81.43 0.16 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -0.47 6.95 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.711 2.274 . . . . 0.0 112.323 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.0 t -58.0 97.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 138' ' ' GLY . 75.0 m -52.25 -43.78 64.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.455 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -109.63 131.21 55.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.872 0.368 . . . . 0.0 110.871 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -91.63 171.52 9.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.899 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -99.26 -45.11 5.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.52 -126.7 1.04 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -105.1 -40.33 5.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -75.04 179.55 4.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.3 t -138.74 137.62 20.25 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.635 0.731 . . . . 0.0 110.855 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 160.46 49.63 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.708 2.272 . . . . 0.0 112.312 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -70.09 109.02 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -88.81 -50.55 6.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -51.17 -44.6 61.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -73.31 120.32 18.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -139.08 157.89 45.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.842 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -141.41 111.21 6.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.11 142.47 5.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 t -107.8 94.23 4.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.865 0.364 . . . . 0.0 110.841 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.5 m -111.73 77.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.54 76.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HE3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -174.68 161.2 3.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.808 0.337 . . . . 0.0 110.86 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -130.21 68.76 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -141.06 120.19 12.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -167.19 173.65 8.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -93.99 112.03 23.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -104.48 -59.99 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.523 ' HB2' ' CD1' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -137.48 169.96 16.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 51.4 m95 -94.89 -61.33 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.936 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' CD1' ' HB2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -46.92 99.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -123.41 77.59 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.91 61.5 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.506 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 163.81 36.92 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.336 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.407 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.6 Cg_endo -69.77 -165.56 0.16 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.727 2.285 . . . . 0.0 112.313 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.6 tp-100 -36.5 98.76 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.701 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -134.19 159.36 41.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.459 HD21 HD23 ' A' ' 95' ' ' LEU . 40.1 mt -44.51 -22.0 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 22' ' ' ASP . 35.1 p -49.61 -41.36 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 22' ' ' ASP . 11.3 m -45.58 -28.2 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.123 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.425 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 98.4 m-70 -80.7 149.7 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.642 HD22 ' OE2' ' A' ' 124' ' ' GLU . 14.8 mt -63.61 -8.57 10.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.693 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 20.9 p-90 -132.11 127.17 35.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -150.1 149.28 30.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.933 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.02 110.79 3.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.081 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.67 -156.11 0.13 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.76 8.55 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.257 . . . . 0.0 112.344 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' PRO . 0.5 OUTLIER -34.59 152.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 179.913 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.21 175.63 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.946 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.622 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 18.5 tpp85 -53.22 -65.68 0.52 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -43.45 -36.9 2.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.077 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -64.9 -34.35 89.65 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.738 ' HB2' ' CZ ' ' A' ' 53' ' ' ARG . . . -71.9 -66.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.804 0.335 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.609 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 24.7 mt-10 -41.54 -42.49 2.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.5 t -53.04 -42.39 65.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.467 HG22 HD13 ' A' ' 42' ' ' LEU . 90.2 mt -63.23 -72.36 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.719 ' N ' HD13 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -56.48 -12.92 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -76.97 -63.67 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -64.5 -38.04 89.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.67 -179.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.8 m -65.57 169.78 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -79.02 120.92 24.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.19 9.49 23.88 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.507 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.433 HG22 HD12 ' A' ' 42' ' ' LEU . 10.0 m -69.35 157.16 37.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 111.157 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.616 ' CG ' HD22 ' A' ' 118' ' ' LEU . 20.8 p90 -151.44 174.02 13.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' CD2' HD11 ' A' ' 42' ' ' LEU . 1.2 pp -169.91 177.28 4.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.771 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.9 t -124.89 114.78 42.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.124 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.738 ' CZ ' ' HB2' ' A' ' 38' ' ' ALA . 2.6 ptp180 -121.0 142.44 49.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.486 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.4 tt0 -96.48 160.22 14.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' NE ' ' O2P' ' B' ' 7' ' ' PTR . 1.9 mmp_? -93.61 146.04 24.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.6 p -97.96 -31.82 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -39.0 62.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -157.73 105.48 2.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.489 ' O ' ' HB3' ' A' ' 60' ' ' ALA . . . -47.06 173.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 59' ' ' ALA . . . 71.51 31.38 2.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -149.81 119.5 7.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 54' ' ' GLN . 32.2 m-85 -110.84 172.94 6.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.15 149.46 26.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.107 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.5 mt -118.04 111.41 34.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.131 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.62 127.13 49.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.478 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.66 142.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.474 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 10.0 tptm -85.03 127.87 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HB2' HG21 ' A' ' 116' ' ' THR . 2.9 t80 -167.18 141.91 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.719 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 64.18 50.81 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.888 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.719 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.92 25.53 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.474 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 4.0 mm-40 -154.61 146.99 23.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.537 HG21 ' HA ' ' A' ' 39' ' ' GLU . 92.4 t -93.07 120.69 42.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.591 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 56.1 mmtt -94.77 160.95 14.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.622 ' CE1' ' CD ' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -146.24 136.2 23.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.863 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.538 HG12 ' CE2' ' A' ' 111' ' ' PHE . 38.6 mt -120.54 142.67 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.9 ttmm -93.67 135.64 34.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.83 147.88 12.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 14.4 mtm -125.29 153.61 42.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.4 p -145.45 136.81 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.87 -68.73 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -117.77 45.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.61 22.34 53.85 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 24.9 mt -116.77 135.96 53.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 3.6 m-85 -107.68 126.1 52.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.935 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -162.3 132.38 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.494 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 5.6 pt -91.95 -18.15 7.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.9 p -136.85 161.24 36.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.171 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -78.55 -30.47 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.9 mtmm -58.92 -55.02 40.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.579 ' HD2' ' CZ ' ' A' ' 92' ' ' PHE . 3.2 tmtt? -110.18 140.01 44.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.961 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.481 ' N ' ' HD3' ' A' ' 90' ' ' LYS . . . -134.98 156.4 49.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.124 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.579 ' CZ ' ' HD2' ' A' ' 90' ' ' LYS . 16.2 m-85 -128.81 174.59 9.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.38 -25.95 8.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 95' ' ' LEU . . . -143.36 128.91 3.53 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.501 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.459 HD23 HD21 ' A' ' 23' ' ' LEU . 22.6 tp -36.53 -49.05 0.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.912 0.386 . . . . 0.0 110.913 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.425 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 62.3 m -47.59 -59.82 2.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.17 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -50.69 -44.7 57.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 98' ' ' LEU . 8.5 tt -55.15 -28.15 50.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.956 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.69 HG13 HD13 ' A' ' 118' ' ' LEU . 94.4 t -91.05 -50.96 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.083 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -65.05 -5.41 6.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.505 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 89.4 t80 -96.49 -50.53 4.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.61 ' CE1' HD23 ' A' ' 107' ' ' LEU . 2.5 m-85 -50.96 -39.88 56.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -49.16 -20.56 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -103.93 -32.03 9.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.505 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -110.93 111.91 23.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.1 t -49.81 133.65 21.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.61 HD23 ' CE1' ' A' ' 102' ' ' TYR . 12.7 mt -59.71 -20.74 58.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.405 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 13.5 pttt -55.6 -24.45 33.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -54.52 -29.82 51.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 77.8 m -113.53 -48.5 2.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.538 ' CE2' HG12 ' A' ' 75' ' ' ILE . 23.7 m-85 -102.55 94.42 5.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.89 -23.95 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 64.3 p -69.11 -32.96 72.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.514 HD11 ' HD2' ' A' ' 73' ' ' LYS . 3.9 mp -101.77 101.36 11.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.889 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.405 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 10.6 t70 -92.0 29.74 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.418 HG21 ' HB2' ' A' ' 68' ' ' TYR . 14.8 t -142.34 173.55 11.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -136.83 172.02 13.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.1 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.69 HD13 HG13 ' A' ' 99' ' ' VAL . 36.2 mt -51.64 107.52 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.427 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 77.1 mt-30 -93.73 -47.18 6.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.427 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.5 m-85 -144.62 137.79 13.99 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.605 0.717 . . . . 0.0 110.867 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.443 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.6 Cg_endo -69.79 -166.61 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.324 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -76.25 -36.24 58.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 42.5 mttt -91.38 -64.81 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.642 ' OE2' HD22 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -175.42 147.0 0.94 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.644 0.735 . . . . 0.0 110.888 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 156.92 62.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.727 2.285 . . . . 0.0 112.373 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -116.69 136.91 52.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.4 pttt -110.29 90.48 3.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 26.6 ttp85 -171.62 124.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.864 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 35.2 p -94.95 107.07 19.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.125 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 13.5 tt -160.7 138.6 2.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.137 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.7 t -154.26 135.87 14.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -95.26 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.883 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 94.0 p -52.99 125.14 16.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -130.32 175.87 19.06 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 175.12 8.54 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.343 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.8 t -158.25 149.22 20.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.846 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 28.3 t -53.45 -60.59 3.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.516 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -100.22 89.7 4.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -157.11 117.76 3.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.844 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -142.59 116.82 9.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.33 57.53 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.501 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -113.44 -44.13 3.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.871 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.489 ' O2P' ' NE ' ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 51.3 mm-40 -44.56 148.33 0.5 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.914 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 9.2 t -108.49 141.05 22.42 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.644 0.735 . . . . 0.0 110.885 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 175.11 8.53 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -79.41 120.29 23.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 49.3 tp10 -95.05 -24.59 16.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.9 -28.81 55.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.506 ' OE1' ' N ' ' B' ' 14' ' ' GLU . 3.3 pm0 -39.03 -35.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.937 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.8 m -108.75 42.14 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.891 0.377 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -156.78 172.28 18.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.49 171.09 16.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.529 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.8 t -121.36 146.6 46.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.887 0.375 . . . . 0.0 110.831 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.1 p -138.77 120.71 15.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.875 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.59 -173.04 42.62 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.1 pttp -117.97 139.82 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.776 0.322 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.82 171.56 19.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.076 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -122.49 116.49 24.02 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -165.36 144.27 6.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -159.84 139.87 11.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -152.36 134.25 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.9 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -111.37 108.11 17.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -123.55 37.27 4.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.412 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -86.06 98.31 10.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 18' ' ' GLY . 14.3 mt-10 -115.21 78.0 1.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . 35.24 61.69 0.65 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.481 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 157.29 61.01 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.367 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 -172.38 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.708 2.272 . . . . 0.0 112.392 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -40.04 119.71 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -154.62 171.69 19.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD11 ' CE1' ' A' ' 62' ' ' PHE . 20.7 mt -45.48 -27.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.0 t -40.89 -44.05 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.829 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.53 HG23 ' N ' ' A' ' 26' ' ' HIS . 22.3 m -43.23 -45.42 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.53 ' N ' HG23 ' A' ' 25' ' ' VAL . 97.8 m-70 -63.62 146.61 53.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mt -60.62 -8.82 3.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.944 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.799 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 13.7 p-90 -131.63 127.7 37.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -148.81 142.07 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.939 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -153.82 109.78 3.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.057 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.65 -145.15 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.9 Cg_endo -69.75 5.74 1.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.675 2.25 . . . . 0.0 112.327 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 1.5 ttp -31.78 120.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' ARG . 13.3 pt-20 -72.07 167.26 20.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' GLU . 7.0 tmm_? -35.69 -69.85 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.06 -41.16 47.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.43 ' C ' ' HG2' ' A' ' 33' ' ' MET . . . -52.11 -32.75 36.17 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.759 ' HB2' ' HD3' ' A' ' 53' ' ' ARG . . . -86.86 -56.35 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.708 0.289 . . . . 0.0 111.079 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 43' ' ' ALA . 40.5 mt-10 -43.23 -44.14 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.1 t -55.25 -35.25 64.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.477 HG22 HD13 ' A' ' 42' ' ' LEU . 96.7 mt -70.79 -74.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.773 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -49.57 -16.64 0.23 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -69.76 -40.05 76.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -86.0 -40.37 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 41' ' ' ILE . 9.0 mmm180 -60.27 168.61 1.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 t -58.96 164.32 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -70.39 112.66 6.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.837 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 121.16 2.58 10.97 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.534 HG22 HD12 ' A' ' 42' ' ' LEU . 25.0 m -64.44 156.11 30.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.842 0.353 . . . . 0.0 111.142 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.688 ' CD2' HD22 ' A' ' 118' ' ' LEU . 17.7 p90 -152.28 174.44 13.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.509 HD11 ' HB3' ' A' ' 65' ' ' SER . 1.6 pp -165.94 175.04 8.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.939 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -118.13 113.93 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.759 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 22.3 mtm105 -101.64 168.35 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.451 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 38.8 tt0 -135.52 158.81 43.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 7.6 tpp180 -93.92 127.89 39.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 p -76.48 -31.23 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -58.87 -40.95 85.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.928 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -146.1 128.39 15.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -82.37 40.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.05 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -132.07 41.88 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.104 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -169.93 173.35 6.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.908 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.481 ' CE1' HD11 ' A' ' 23' ' ' LEU . 31.0 m-85 -155.1 177.93 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -151.55 162.0 41.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.6 mt -134.85 104.7 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.509 ' HB3' HD11 ' A' ' 51' ' ' LEU . 21.3 t -96.27 140.91 30.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.511 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -149.61 143.22 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.127 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.449 ' N ' HG12 ' A' ' 66' ' ' ILE . 15.3 tptm -89.69 128.43 36.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -166.71 140.86 4.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.691 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 63.53 51.58 2.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.691 HG22 ' O ' ' A' ' 69' ' ' ASN . 6.3 m 47.15 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.177 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -152.88 142.12 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 98.6 t -96.34 118.89 43.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.093 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -98.4 172.78 7.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.453 ' HB2' ' CD1' ' B' ' 7' ' ' PTR . 16.5 m-70 -142.73 140.38 31.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.512 HG12 ' CG ' ' B' ' 8' ' ' GLU . 10.6 mt -119.87 115.34 47.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.128 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.5 ttpp -78.89 144.24 35.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.465 HD13 HD13 ' A' ' 95' ' ' LEU . 53.8 mt -114.92 137.43 48.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -105.27 157.51 17.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.93 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.4 p -151.64 128.96 11.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -124.46 -58.91 1.49 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -115.97 44.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.15 33.48 62.07 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 36.0 mt -122.67 159.05 28.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -125.62 125.52 43.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -162.57 148.77 12.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.647 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -108.16 -16.05 8.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.647 HG23 HD12 ' A' ' 86' ' ' ILE . 0.9 OUTLIER -149.11 130.95 15.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.157 179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -46.25 -24.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -61.56 -51.83 66.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.29 143.87 43.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -143.84 144.81 31.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 98' ' ' LEU . 1.7 m-85 -124.53 170.92 10.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.33 -22.02 15.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -150.35 147.46 17.62 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.465 HD13 HD13 ' A' ' 77' ' ' ILE . 33.7 tp -55.7 -42.83 75.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 0.0 110.941 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.422 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 37.8 m -48.04 -52.08 21.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -65.17 -48.96 71.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.629 HD12 ' CD1' ' A' ' 92' ' ' PHE . 9.1 tt -49.78 -33.61 16.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.706 HG13 ' CD1' ' A' ' 118' ' ' LEU . 60.0 t -87.97 -42.88 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -70.17 -6.81 36.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.538 ' CZ ' ' ND2' ' A' ' 105' ' ' ASN . 74.1 t80 -96.73 -47.48 5.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -52.55 -39.16 61.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -51.91 -17.43 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.94 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.76 -12.62 13.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.538 ' ND2' ' CZ ' ' A' ' 101' ' ' PHE . 11.7 m-80 -126.24 108.49 11.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.6 p -51.75 152.18 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.813 HD13 ' HA ' ' A' ' 117' ' ' THR . 8.9 mp -85.53 -16.39 39.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -56.28 -17.92 9.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -68.32 -49.46 60.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' B' ' 11' ' ' ASN . 24.8 m -94.45 -46.6 6.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.576 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 21.9 m-85 -91.72 133.33 35.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.5 tttm -81.53 -43.48 18.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.2 t -65.35 -46.91 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.7 mt -79.6 110.77 15.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -109.02 33.47 4.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.419 ' O ' HD13 ' A' ' 107' ' ' LEU . 14.7 t -153.59 174.76 14.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.813 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -129.57 166.07 20.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.142 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.706 ' CD1' HG13 ' A' ' 99' ' ' VAL . 24.1 mt -46.64 108.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.444 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 76.7 mt-30 -89.65 -51.14 5.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.6 m-85 -142.81 135.22 13.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 110.867 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.506 ' CG ' ' O ' ' A' ' 124' ' ' GLU . 53.7 Cg_endo -69.81 -169.02 0.3 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.315 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.421 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.4 OUTLIER -72.42 -32.7 66.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -93.43 -65.64 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.506 ' O ' ' CG ' ' A' ' 121' ' ' PRO . 3.3 pt-20 -172.74 150.53 2.11 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.646 0.736 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -167.6 0.23 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.656 2.238 . . . . 0.0 112.38 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -133.13 165.69 24.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 128' ' ' ARG . 14.4 ptpt -112.74 -51.18 2.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 127' ' ' LYS . 11.1 ttt180 -57.91 -70.68 0.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 129' ' ' THR . 3.7 m 72.02 28.9 2.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 22.4 mm -133.44 134.43 56.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.4 t -161.49 136.41 7.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -118.85 83.31 2.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 m -154.79 171.44 19.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.826 -179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.403 ' HA2' ' HD2' ' A' ' 135' ' ' PRO . . . -104.8 92.17 0.83 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.508 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.403 ' HD2' ' HA2' ' A' ' 134' ' ' GLY . 53.5 Cg_endo -69.77 -23.09 31.15 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.645 2.23 . . . . 0.0 112.379 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.5 t -49.44 126.78 13.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 92.2 p -144.36 127.2 16.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.46 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -161.3 150.63 16.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.885 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.48 108.01 15.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.871 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.9 28.48 0.69 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 42.43 74.22 0.19 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.438 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.76 -34.78 14.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.761 0.315 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.453 ' CD1' ' HB2' ' A' ' 74' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.512 ' CG ' HG12 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -39.74 160.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.933 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -137.54 135.99 19.84 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.633 0.73 . . . . 0.0 110.884 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 167.55 24.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.699 2.266 . . . . 0.0 112.331 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 110' ' ' CYS . 11.6 m-80 -81.58 113.14 19.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -92.28 -45.98 7.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 0.9 OUTLIER -56.46 -30.52 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -103.6 118.51 36.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.927 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.433 -0.267 . . . . 0.0 112.433 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -64.4 161.28 17.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.826 0.346 . . . . 0.0 110.904 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.7 p -111.5 -46.55 3.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.03 -163.2 12.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -134.59 165.33 25.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -42.22 139.63 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.06 160.28 14.78 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.9 mttt -115.2 158.58 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.53 107.87 11.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -87.74 129.51 35.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.928 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.83 165.0 26.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -131.32 172.51 12.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -139.4 156.58 46.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.947 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.17 95.95 8.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 18.9 m95 -127.17 36.29 4.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.405 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 6.9 p90 -105.38 119.47 39.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.954 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' C ' ' HD3' ' A' ' 19' ' ' PRO . 1.8 mm-40 -155.92 106.23 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -110.21 66.24 0.24 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.463 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.437 ' HD3' ' C ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.75 169.27 19.28 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.67 2.246 . . . . 0.0 112.337 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -3.47 12.06 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.258 . . . . 0.0 112.404 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 22' ' ' ASP . 0.7 OUTLIER -60.88 -175.24 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.97 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.786 ' O ' HG22 ' A' ' 25' ' ' VAL . 0.3 OUTLIER -34.91 142.54 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 87.8 mt -53.51 -24.35 13.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 87.6 p -55.09 -35.45 64.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.786 HG22 ' O ' ' A' ' 22' ' ' ASP . 19.5 m -59.2 -29.91 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.089 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -74.56 144.51 43.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.831 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -58.88 -10.9 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.831 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 27.9 p-90 -130.24 127.02 38.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -149.81 142.43 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.908 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.956 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.57 110.24 3.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.071 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.404 ' HA3' ' HD2' ' A' ' 32' ' ' PRO . . . -71.61 -143.54 0.36 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 54.1 Cg_endo -69.71 5.65 1.6 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.657 2.238 . . . . 0.0 112.382 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.576 ' SD ' HD12 ' A' ' 41' ' ' ILE . 31.0 ttm -30.7 142.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -83.75 162.36 20.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.581 ' HD2' ' CE1' ' A' ' 74' ' ' HIS . 13.9 tpt180 -42.84 -57.14 2.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.842 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.72 -41.64 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.417 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -60.42 -37.93 93.98 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.581 ' HB2' ' HD2' ' A' ' 53' ' ' ARG . . . -71.09 -52.77 17.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.769 0.319 . . . . 0.0 111.069 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.645 ' HA ' HG11 ' A' ' 72' ' ' VAL . 35.5 mt-10 -58.54 -48.48 80.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.916 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.8 t -57.07 -39.46 75.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.576 HD12 ' SD ' ' A' ' 33' ' ' MET . 15.2 mt -63.88 -62.82 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.501 HD22 ' C ' ' A' ' 49' ' ' THR . 3.3 mt -69.85 1.5 4.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -82.97 -41.85 18.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.073 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 25.5 m-80 -75.83 -38.95 57.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.484 ' HG3' HG21 ' A' ' 49' ' ' THR . 12.8 mmm180 -60.65 -173.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 28.5 m -83.83 147.29 27.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -52.64 100.0 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 142.91 -7.24 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.516 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.501 ' C ' HD22 ' A' ' 42' ' ' LEU . 20.1 m -65.79 146.48 54.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.802 0.334 . . . . 0.0 111.123 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.598 ' CE2' HD13 ' A' ' 118' ' ' LEU . 26.5 p90 -138.37 -179.93 6.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 65' ' ' SER . 1.3 pp -170.57 177.18 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.956 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.5 t -123.48 114.45 41.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.125 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.581 ' HD2' ' HB2' ' A' ' 38' ' ' ALA . 46.1 mtp180 -106.53 160.29 15.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -120.63 159.12 25.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -94.87 150.56 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 86.3 t -87.74 -41.61 14.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.171 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.9 mmtm -45.45 -41.23 9.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -153.35 135.1 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -83.14 40.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -131.91 30.41 4.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -149.68 170.14 19.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.416 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 31.3 m-85 -151.39 177.52 10.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.83 149.5 28.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.095 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.782 HG13 HD11 ' A' ' 77' ' ' ILE . 42.1 mt -120.46 98.97 6.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.487 ' HB3' HD11 ' A' ' 51' ' ' LEU . 12.5 t -97.66 132.87 42.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.504 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -138.38 142.71 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' N ' HG12 ' A' ' 66' ' ' ILE . 7.9 tptp -87.8 120.23 28.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 2.6 t80 -164.16 137.87 5.38 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.56 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.3 t-20 73.46 54.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 69' ' ' ASN . 4.9 m 43.21 26.42 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.14 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -157.77 143.55 17.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.645 HG11 ' HA ' ' A' ' 39' ' ' GLU . 97.6 t -92.54 116.84 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.557 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 31.7 mmtt -95.01 161.56 14.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.924 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.581 ' CE1' ' HD2' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -146.02 146.19 30.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.422 ' N ' ' HD1' ' B' ' 7' ' ' PTR . 17.5 mt -135.11 140.32 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? -85.21 152.45 23.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.782 HD11 HG13 ' A' ' 64' ' ' ILE . 82.4 mt -123.26 124.43 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 49.0 mtm -91.14 168.72 11.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.869 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 58.1 p -142.46 135.58 28.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.54 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -135.55 112.25 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.09 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 46.18 46.84 13.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 82.97 24.84 51.46 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.638 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 22.2 mt -106.93 -179.47 3.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.638 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 16.5 m-85 -153.91 125.78 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.2 ptp180 -162.21 130.46 4.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.66 HG22 HG12 ' A' ' 77' ' ' ILE . 0.2 OUTLIER -84.68 -16.44 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.195 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 2.4 p -150.58 133.35 15.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.12 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -48.93 -24.71 1.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.9 mmmm -57.52 -52.36 65.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.457 ' HG2' ' CZ ' ' A' ' 92' ' ' PHE . 0.0 OUTLIER -117.47 147.33 42.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.567 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -131.2 164.24 25.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.799 ' CD1' HD12 ' A' ' 98' ' ' LEU . 2.6 m-85 -146.34 173.74 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.5 tpt85 -91.51 -40.23 11.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.563 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -141.83 161.19 27.11 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.477 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.504 HD21 HG11 ' A' ' 52' ' ' VAL . 46.6 tp -54.47 -43.0 71.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 0.0 110.882 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 99' ' ' VAL . 71.5 m -59.26 -62.3 1.99 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -41.74 -42.42 2.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.799 HD12 ' CD1' ' A' ' 92' ' ' PHE . 10.6 tt -67.78 -32.51 73.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.554 HG11 ' CE2' ' A' ' 28' ' ' TRP . 15.3 t -78.82 -56.53 7.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.74 -6.09 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.516 ' CD2' ' OD1' ' A' ' 105' ' ' ASN . 82.4 t80 -94.4 -46.16 7.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.566 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.3 m-85 -56.24 -35.51 67.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.408 ' HG3' ' O ' ' A' ' 99' ' ' VAL . 60.5 mt-30 -50.59 -17.43 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -109.09 -36.55 6.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.516 ' OD1' ' CD2' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -104.79 112.83 26.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.865 -179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 m -47.25 135.91 9.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.566 HD23 ' CE1' ' A' ' 102' ' ' TYR . 37.2 mt -56.81 -20.31 21.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 0.0 OUTLIER -58.05 -23.44 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.774 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -52.37 -35.9 52.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.841 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 72.2 m -112.31 -60.67 1.83 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -93.4 105.58 17.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.881 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -50.91 -48.02 60.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.9 p -42.75 -55.24 3.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.449 ' CD2' ' HG3' ' B' ' 8' ' ' GLU . 4.5 mm? -75.89 97.08 3.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.967 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 54.1 m-20 -92.35 23.49 3.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 9.0 t -146.22 164.48 32.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.34 163.03 16.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.128 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.598 HD13 ' CE2' ' A' ' 50' ' ' PHE . 18.6 mt -42.01 107.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.937 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.437 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 29.2 mm-40 -86.62 -51.12 6.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.437 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 6.0 m-85 -143.78 140.44 17.28 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.666 0.746 . . . . 0.0 110.851 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.414 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.1 Cg_endo -69.78 174.24 9.81 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.639 2.226 . . . . 0.0 112.361 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.36 -52.23 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -66.84 -72.39 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.414 ' C ' ' HG2' ' A' ' 121' ' ' PRO . 7.3 pt-20 -175.69 140.53 0.59 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.641 0.734 . . . . 0.0 110.913 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 114.76 3.81 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.319 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.403 ' CD ' ' HG3' ' A' ' 124' ' ' GLU . 2.2 mm-40 -124.22 16.31 9.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 21.4 mmtp 56.03 46.75 21.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.466 ' HE ' ' N ' ' A' ' 129' ' ' THR . 0.0 OUTLIER -90.94 99.91 12.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.466 ' N ' ' HE ' ' A' ' 128' ' ' ARG . 17.2 m -145.05 138.12 26.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 5.1 tp -163.04 134.69 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.149 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.457 ' O ' ' CG ' ' A' ' 132' ' ' ARG . 43.5 m -109.92 101.26 10.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 131' ' ' SER . 15.7 mtp-105 -160.95 132.36 5.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 m -59.83 -60.01 4.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 58.95 -176.89 2.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 124.95 11.56 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.395 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.1 p -114.3 125.53 53.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 5.7 t -48.61 -46.42 39.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.459 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.441 -0.263 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -88.37 124.11 33.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.01 152.01 24.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -112.58 110.38 20.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.32 -88.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -117.94 -45.3 2.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.801 0.334 . . . . 0.0 110.832 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.422 ' HD1' ' N ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.449 ' HG3' ' CD2' ' A' ' 114' ' ' LEU . 9.0 mm-40 -53.61 158.81 1.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 21.6 t -101.81 132.72 21.33 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.673 0.749 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 159.37 53.68 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.659 2.24 . . . . 0.0 112.321 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -56.14 140.94 42.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 mp0 -96.61 -37.64 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.423 ' O ' ' C ' ' B' ' 14' ' ' GLU . 40.4 mm-40 -42.98 -39.67 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' B' ' 13' ' ' GLU . 7.7 pt-20 -35.64 141.01 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 p -160.56 146.44 15.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.388 . . . . 0.0 110.845 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.6 p -158.88 126.27 4.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.6 -68.58 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.477 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.2 p -118.07 120.58 38.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.834 0.35 . . . . 0.0 110.866 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 t -144.19 169.38 17.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.44 119.85 0.56 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -125.27 -46.09 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.786 0.327 . . . . 0.0 110.865 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -121.71 41.12 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.111 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 36.2 mp0 -130.45 144.38 51.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 10' ' ' GLU . . . 69.27 40.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.104 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' CD ' ' O ' ' A' ' 12' ' ' GLU . 2.2 pp20? -93.84 42.75 1.1 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.46 159.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.919 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -125.58 14.6 8.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -77.89 54.15 1.24 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -109.31 -175.02 2.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -45.97 -30.11 1.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 133.71 146.87 5.57 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 162.61 41.4 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.398 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' GLN . 54.1 Cg_endo -69.75 167.46 24.35 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' PRO . 19.8 tt0 -36.66 138.35 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.487 ' O ' HG22 ' A' ' 25' ' ' VAL . 15.0 m-20 -113.55 105.8 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.437 HD21 HD23 ' A' ' 95' ' ' LEU . 42.0 mt -48.74 -23.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.6 t -48.4 -41.33 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.848 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG23 ' N ' ' A' ' 26' ' ' HIS . 33.9 m -47.09 -44.41 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.083 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.494 ' N ' HG23 ' A' ' 25' ' ' VAL . 96.5 m-70 -66.5 153.08 43.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 10.8 mt -66.46 -6.97 16.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.565 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 16.9 p-90 -132.01 126.04 32.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -150.34 136.89 18.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.962 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.83 109.97 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.112 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.17 -148.47 0.55 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.494 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.479 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.8 Cg_endo -69.74 6.18 1.4 Allowed 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.65 2.233 . . . . 0.0 112.388 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.479 ' C ' ' O ' ' A' ' 32' ' ' PRO . 13.6 ttp -30.33 144.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -75.28 160.45 30.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.55 ' NE ' ' CE1' ' A' ' 74' ' ' HIS . 10.3 tpt180 -44.36 -61.29 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.43 -29.38 6.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -65.68 -30.39 77.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.574 ' O ' HD22 ' A' ' 42' ' ' LEU . . . -86.85 -65.96 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HA ' HG11 ' A' ' 72' ' ' VAL . 42.9 mt-10 -37.19 -47.76 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.1 t -54.4 -42.21 70.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.511 HG22 HD13 ' A' ' 42' ' ' LEU . 97.3 mt -59.85 -71.76 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.111 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.706 HD22 ' H ' ' A' ' 42' ' ' LEU . 0.1 OUTLIER -55.41 -16.19 3.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 39' ' ' GLU . . . -79.8 -58.87 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -69.2 -32.0 70.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -72.48 175.89 5.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.4 t -59.4 159.55 7.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.33 116.28 12.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.25 5.75 12.76 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.471 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 50' ' ' PHE . 19.5 m -66.98 160.11 27.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.79 0.329 . . . . 0.0 111.138 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.745 ' CE2' HD13 ' A' ' 118' ' ' LEU . 14.9 p90 -157.84 167.25 30.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.5 pp -163.62 177.11 9.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.962 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.2 t -118.88 115.92 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.523 ' HD3' ' HB2' ' A' ' 38' ' ' ALA . 10.8 mtm180 -103.3 169.96 8.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -134.54 148.98 50.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.2 mtt180 -94.23 159.64 15.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.2 m -99.56 -7.06 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.4 mtmt -75.62 -52.11 11.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ALA . 3.9 m-20 -134.57 109.13 8.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.895 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . -33.84 -58.04 0.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 74.02 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.066 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -169.11 134.3 1.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 23' ' ' LEU . 62.6 m-85 -137.06 177.74 7.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -153.13 156.79 39.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.115 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.923 HG13 HD11 ' A' ' 77' ' ' ILE . 40.5 mt -122.22 105.04 15.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.124 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.8 t -101.36 122.37 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.444 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -134.22 141.57 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.138 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.486 ' HE3' ' N ' ' A' ' 71' ' ' GLU . 12.2 tptm -84.28 129.49 34.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -170.14 136.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.674 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 70.96 51.64 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.881 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.674 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.7 m 46.56 25.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.076 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.486 ' N ' ' HE3' ' A' ' 67' ' ' LYS . 30.0 mm-40 -156.63 147.64 22.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 39' ' ' GLU . 45.5 t -89.27 121.32 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.117 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.638 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 34.2 mmtt -95.23 163.65 13.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.638 ' CD2' ' C ' ' A' ' 73' ' ' LYS . 1.0 OUTLIER -147.52 142.78 27.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.468 HG12 ' CE2' ' A' ' 111' ' ' PHE . 44.7 mt -126.47 146.85 31.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.469 ' HB2' ' CD1' ' B' ' 7' ' ' PTR . 11.4 tptm -90.66 138.53 31.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.923 HD11 HG13 ' A' ' 64' ' ' ILE . 66.5 mt -119.94 108.08 22.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 34.7 mtm -85.05 162.29 19.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.9 p -136.5 133.64 36.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.181 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.582 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -124.86 113.31 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 44.03 48.04 7.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.17 23.11 52.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.538 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.596 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 18.1 mt -107.37 -179.41 3.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.791 0.329 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 7.8 m-85 -150.58 120.89 7.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.9 ptt180 -158.74 139.7 12.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.446 ' CD1' ' OH ' ' A' ' 102' ' ' TYR . 6.8 pt -95.37 -19.15 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.7 p -130.86 162.94 28.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -76.44 -31.05 57.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.2 mtpm? -73.87 -49.31 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 5.5 tppt? -93.71 149.57 21.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.949 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.45 ' N ' ' HG3' ' A' ' 90' ' ' LYS . . . -154.73 157.5 38.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.076 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.467 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 4.2 m-85 -135.77 173.36 11.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.853 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -93.9 -40.5 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -136.04 159.1 24.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.536 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.554 ' HB2' ' CD2' ' A' ' 84' ' ' TYR . 19.9 tp -59.06 -39.22 81.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 110.878 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 48.7 m -53.75 -68.09 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -43.93 -48.83 8.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.2 tt -48.22 -37.51 16.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.721 HG13 ' CD1' ' A' ' 118' ' ' LEU . 65.7 t -85.31 -49.9 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.37 -5.55 5.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.589 ' CE1' ' ND2' ' A' ' 105' ' ' ASN . 54.7 t80 -95.45 -46.8 6.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.683 ' CE1' HD23 ' A' ' 107' ' ' LEU . 1.9 m-85 -55.08 -45.33 75.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -40.78 -24.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 102' ' ' TYR . 1.9 mp0 -104.1 -28.55 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.589 ' ND2' ' CE1' ' A' ' 101' ' ' PHE . 9.0 m-80 -108.95 112.36 24.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 34.4 t -51.95 131.12 30.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.683 HD23 ' CE1' ' A' ' 102' ' ' TYR . 36.3 mt -56.05 -16.94 5.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.418 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 10.0 pttp -61.78 -24.82 67.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -51.32 -44.78 62.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.88 -61.08 1.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.828 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.468 ' CE2' HG12 ' A' ' 75' ' ' ILE . 34.8 m-85 -87.49 160.75 18.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -95.27 -45.94 6.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.9 m -56.97 -54.12 50.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 73' ' ' LYS . 4.2 mm? -68.55 91.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.916 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.418 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 24.3 t70 -95.84 25.64 4.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 13.7 t -147.56 160.22 42.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.091 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.57 166.41 11.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.745 HD13 ' CE2' ' A' ' 50' ' ' PHE . 24.5 mt -45.47 107.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.438 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 28.6 mm-40 -87.15 -55.11 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.511 ' CD1' ' HB3' ' A' ' 125' ' ' PRO . 2.7 m-85 -140.16 131.25 14.19 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.662 0.744 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -163.96 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.702 2.268 . . . . 0.0 112.416 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.451 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 1.9 t80 -81.02 -45.72 16.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.839 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.71 -67.81 0.38 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.97 155.43 2.39 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.657 0.742 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.511 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 54.1 Cg_endo -69.75 179.67 3.53 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.716 2.278 . . . . 0.0 112.372 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -127.6 128.21 45.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -130.8 -52.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.81 ' O ' HG22 ' A' ' 130' ' ' ILE . 34.3 ttt-85 -84.48 -69.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.5 p -43.69 97.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.929 HD13 ' N ' ' A' ' 131' ' ' SER . 0.0 OUTLIER -164.88 134.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.147 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.929 ' N ' HD13 ' A' ' 130' ' ' ILE . 69.3 p -160.99 147.39 14.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 23.6 mmt85 -71.21 -56.15 6.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 40.1 t -113.79 93.11 4.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -90.02 -103.09 1.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 136' ' ' SER . 53.9 Cg_endo -69.73 1.19 4.64 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.448 ' C ' ' O ' ' A' ' 135' ' ' PRO . 15.8 t -33.79 -48.25 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 39.8 p -107.8 132.22 53.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.851 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.516 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -86.29 -23.75 26.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.14 134.12 56.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -98.18 -48.04 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -75.96 63.09 2.84 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -59.02 -41.06 86.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 110.824 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.469 ' CD1' ' HB2' ' A' ' 76' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -58.44 137.12 57.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.877 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 84.4 p -89.85 141.74 28.48 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.663 0.744 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 155.02 66.93 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.714 2.276 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -71.48 112.87 7.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -91.89 -36.47 13.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' B' ' 13' ' ' GLU . 5.0 mp0 -50.16 -49.16 53.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.96 135.6 54.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.909 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m -141.57 171.04 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -139.81 176.83 8.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.98 -155.41 27.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.444 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.6 p -145.42 159.03 43.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -157.52 124.05 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.91 145.98 6.41 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.429 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.463 ' HE3' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -82.8 171.77 13.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.791 0.329 . . . . 0.0 110.888 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.94 98.63 8.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -168.02 132.13 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -122.08 84.48 2.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -134.84 175.56 9.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -38.72 125.12 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.929 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -124.16 151.33 44.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.944 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 10.9 p90 -52.04 -43.17 63.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -74.07 177.82 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -132.06 40.13 3.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -118.65 83.23 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 167.74 23.45 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.264 . . . . 0.0 112.343 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 21' ' ' GLN . 53.7 Cg_endo -69.78 -173.48 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.28 . . . . 0.0 112.314 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' PRO . 16.7 tt0 -36.28 147.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' ' 24' ' ' SER . 70.7 m-20 -125.96 101.28 6.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 17.2 mt -39.86 -25.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 22' ' ' ASP . 15.5 m -45.58 -43.79 12.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG23 ' N ' ' A' ' 26' ' ' HIS . 25.6 m -42.32 -44.17 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.458 ' N ' HG23 ' A' ' 25' ' ' VAL . 99.5 m-70 -62.96 157.09 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.851 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 15.5 mt -71.6 1.54 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.493 ' O ' ' CE3' ' A' ' 28' ' ' TRP . 8.7 p-90 -142.65 126.02 16.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -150.45 148.32 28.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.895 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.71 109.86 3.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.29 -148.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.3 Cg_endo -69.84 3.74 2.63 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.236 . . . . 0.0 112.305 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.462 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.0 ttm -33.06 146.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.451 ' O ' ' C ' ' A' ' 35' ' ' ARG . 8.8 pt-20 -99.18 165.06 11.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' GLU . 5.9 tmm_? -34.17 -69.83 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.25 -44.82 53.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -54.56 -32.55 53.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.488 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.45 -46.65 12.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.496 ' O ' ' N ' ' A' ' 43' ' ' ALA . 22.7 mt-10 -42.64 -54.79 3.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.412 ' HA ' ' HB3' ' A' ' 43' ' ' ALA . 11.8 t -47.71 -49.63 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 22.2 mt -52.67 -49.24 46.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.7 mt -85.11 -6.54 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -85.19 -50.66 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.123 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -74.07 -39.26 63.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -178.3 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.1 m -64.78 162.08 16.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.68 116.84 16.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.06 4.69 14.13 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.475 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 50' ' ' PHE . 13.7 m -64.75 161.31 18.24 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.546 ' CG ' ' HG ' ' A' ' 118' ' ' LEU . 18.2 p90 -153.26 169.71 22.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 pp -169.96 176.91 4.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.895 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -123.8 121.16 61.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.2 ptt85 -122.52 150.11 43.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.485 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 39.8 tt0 -101.62 158.53 16.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.8 mtp180 -95.24 168.12 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 95.1 t -100.05 -50.67 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -43.7 -43.01 5.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.922 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -132.73 124.03 27.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.89 -63.48 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -68.46 78.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -169.14 123.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.566 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 47.0 m-85 -117.44 169.22 9.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -155.91 135.13 12.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.067 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.534 HG13 HD11 ' A' ' 77' ' ' ILE . 32.2 mt -99.52 124.21 52.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.125 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.5 t -115.13 117.6 30.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.485 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -126.95 139.63 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.126 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -87.48 127.4 35.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.882 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -165.46 147.06 7.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.686 ' O ' HG22 ' A' ' 70' ' ' VAL . 1.9 t-20 62.94 50.65 3.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.6 m 46.95 25.21 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.162 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -152.4 145.48 24.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.439 HG11 ' HG2' ' A' ' 39' ' ' GLU . 60.2 t -92.58 118.87 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' CB ' HD21 ' A' ' 114' ' ' LEU . 20.6 mmtp -96.9 168.83 10.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -149.56 140.71 23.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.443 ' CA ' ' HD2' ' B' ' 7' ' ' PTR . 5.2 mp -122.61 131.9 72.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -87.18 134.26 33.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.534 HD11 HG13 ' A' ' 64' ' ' ILE . 35.5 mt -110.27 142.16 23.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.084 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 22.4 mtm -113.87 154.12 28.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 39.1 p -143.69 112.12 6.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.129 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.49 -72.85 0.61 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -112.25 51.84 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 75.24 24.84 70.05 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.495 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.424 HD22 ' O ' ' A' ' 92' ' ' PHE . 48.8 mt -115.86 162.31 17.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.535 ' CE2' ' HB2' ' A' ' 95' ' ' LEU . 1.2 m-85 -131.39 128.93 40.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -162.31 137.53 7.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.555 HD13 ' OH ' ' A' ' 102' ' ' TYR . 4.9 pt -87.98 -24.52 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.482 ' CG2' ' HB3' ' B' ' 10' ' ' PRO . 7.3 p -146.2 135.81 23.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -47.97 -23.9 0.91 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -59.26 -52.4 65.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.59 ' HD2' ' CE1' ' A' ' 92' ' ' PHE . 4.4 tmtt? -117.86 137.22 52.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -130.6 152.78 49.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.59 ' CE1' ' HD2' ' A' ' 90' ' ' LYS . 2.2 m-85 -125.71 172.04 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 37.5 mtt180 -90.17 -46.26 8.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.432 ' HA2' ' CE1' ' A' ' 84' ' ' TYR . . . -140.28 155.99 24.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.448 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.535 ' HB2' ' CE2' ' A' ' 84' ' ' TYR . 21.7 tp -50.51 -47.33 57.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.9 m -45.49 -59.38 2.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.148 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -58.06 -42.04 84.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.502 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 6.4 tt -54.58 -42.52 71.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.487 HG11 ' CE2' ' A' ' 28' ' ' TRP . 59.5 t -77.52 -45.11 29.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.137 179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -65.29 -5.64 7.71 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.614 ' CZ ' ' CG ' ' A' ' 105' ' ' ASN . 67.4 t80 -97.28 -49.67 4.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.555 ' OH ' HD13 ' A' ' 86' ' ' ILE . 2.3 m-85 -49.33 -47.8 46.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.942 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -42.08 -23.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.922 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' TYR . 2.9 mp0 -104.8 -32.93 8.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.614 ' CG ' ' CZ ' ' A' ' 101' ' ' PHE . 1.6 m-80 -104.94 113.75 27.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.414 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 92.4 p -54.34 143.62 22.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.574 HD13 ' HA ' ' A' ' 117' ' ' THR . 10.9 mp -72.44 -16.49 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 114' ' ' LEU . 1.0 OUTLIER -61.56 -26.57 68.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.05 -51.28 24.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.48 -32.69 9.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 112' ' ' LYS . 18.1 m-85 -110.0 77.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.461 ' C ' ' O ' ' A' ' 111' ' ' PHE . 0.3 OUTLIER -33.68 -46.4 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.2 t -48.59 -55.42 11.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.834 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.503 ' CD2' ' CD ' ' B' ' 8' ' ' GLU . 3.5 mm? -72.58 92.09 1.47 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.413 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 5.2 t70 -89.81 44.68 1.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.8 t -168.45 174.44 6.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.574 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -127.6 174.12 9.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.546 ' HG ' ' CG ' ' A' ' 50' ' ' PHE . 1.0 OUTLIER -57.24 104.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.984 179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.464 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 21.5 mm-40 -85.46 -48.7 8.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.464 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 1.3 m-85 -143.04 130.47 10.93 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.643 0.735 . . . . 0.0 110.886 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.427 ' CA ' ' CE1' ' A' ' 50' ' ' PHE . 53.5 Cg_endo -69.75 -163.65 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.656 2.237 . . . . 0.0 112.323 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 8.5 t80 -79.71 -44.16 21.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 4.5 mmpt? -72.85 -70.43 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -173.01 149.4 1.78 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.643 0.735 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -177.61 1.94 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -157.23 143.41 17.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -107.12 153.04 23.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.895 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -167.13 149.27 6.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.893 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.4 t -124.57 -15.16 6.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.159 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 81.4 mt -72.47 126.59 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 48.6 m -99.94 113.4 25.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -123.08 133.56 54.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 84.4 p -72.07 -54.75 8.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 125.01 166.6 12.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 161.65 45.1 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.67 2.246 . . . . 0.0 112.354 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.1 p -118.26 155.78 29.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 4.9 t -175.07 176.66 2.07 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.453 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -74.54 151.54 39.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -107.64 147.43 30.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -128.36 116.22 19.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -158.78 90.4 0.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -100.42 -35.92 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.84 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.443 ' HD2' ' CA ' ' A' ' 75' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.503 ' CD ' ' CD2' ' A' ' 114' ' ' LEU . 44.5 mt-10 -67.14 133.85 50.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 36.9 p -102.4 147.27 33.75 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.65 0.738 . . . . 0.0 110.867 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.482 ' HB3' ' CG2' ' A' ' 87' ' ' THR . 53.9 Cg_endo -69.7 148.09 64.68 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.267 . . . . 0.0 112.356 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 31.0 m-20 -66.22 126.5 28.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -94.4 -39.78 10.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' B' ' 14' ' ' GLU . 15.5 pt-20 -78.59 -48.81 14.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' B' ' 13' ' ' GLU . 2.8 tm-20 46.79 44.28 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -112.05 102.55 10.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -124.43 143.94 50.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.5 56.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.0 m -121.69 115.38 22.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.887 0.375 . . . . 0.0 110.868 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.2 m -68.89 -58.38 4.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.858 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.26 105.06 2.31 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 ttpt -138.96 170.59 15.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.929 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.88 151.83 43.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.093 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -134.99 130.6 35.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -114.2 121.3 43.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -101.0 175.82 5.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -138.29 158.0 45.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -93.97 45.74 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.576 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 3.5 t-105 -97.34 89.96 4.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.408 ' CD1' ' N ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -125.21 100.67 6.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.922 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' GLY . 10.1 mt-10 -119.89 43.63 2.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.942 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . 35.38 79.5 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.446 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 137.17 34.88 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.728 2.286 . . . . 0.0 112.35 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -178.52 2.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.9 tp-100 -38.5 127.75 1.45 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.458 ' O ' HG13 ' A' ' 25' ' ' VAL . 65.7 m-20 -149.96 160.84 43.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 ' CE1' ' A' ' 62' ' ' PHE . 15.4 mt -54.37 -26.87 32.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' VAL . 16.2 p -44.33 -48.34 9.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 22' ' ' ASP . 7.5 m -37.33 -36.4 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.409 ' CE1' ' OG1' ' A' ' 96' ' ' THR . 99.3 m-70 -73.75 146.33 44.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.48 HD22 ' OE2' ' A' ' 124' ' ' GLU . 9.4 mt -60.64 -9.49 3.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.909 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 24.1 p-90 -131.82 128.46 38.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.947 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 29.9 t80 -148.17 141.63 25.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.925 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -152.75 110.34 3.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -71.87 -152.51 1.38 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.52 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.6 Cg_endo -69.72 5.0 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.492 ' C ' ' O ' ' A' ' 32' ' ' PRO . 9.2 ttp -30.57 140.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -68.67 156.1 38.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.626 ' CD ' ' CE1' ' A' ' 74' ' ' HIS . 16.7 tpp85 -41.13 -60.84 1.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.89 -38.71 51.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.07 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.463 ' C ' ' SD ' ' A' ' 33' ' ' MET . . . -51.87 -35.07 38.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.434 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -79.21 -58.26 3.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.317 . . . . 0.0 111.097 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.696 ' HA ' HG21 ' A' ' 72' ' ' VAL . 30.0 mt-10 -35.78 -57.96 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.0 t -50.47 -47.8 56.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 42' ' ' LEU . 20.8 mt -56.97 -64.03 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.154 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD21 ' HG ' ' A' ' 51' ' ' LEU . 5.6 mt -66.74 -7.9 24.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.46 ' CB ' ' O ' ' A' ' 39' ' ' GLU . . . -95.4 -30.67 13.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -88.73 -36.49 16.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 45' ' ' ARG . 0.0 OUTLIER -59.14 -75.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.0 t -175.57 179.16 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -85.24 101.2 12.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.52 -4.69 5.51 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.511 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 20.0 m -65.01 154.87 36.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 111.151 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.6 ' CG ' HD22 ' A' ' 118' ' ' LEU . 28.0 p90 -148.14 175.63 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 42' ' ' LEU . 1.1 pp -169.56 177.12 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.925 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.4 t -119.33 112.57 37.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 53' ' ' ARG . 20.7 mtm105 -99.88 167.2 10.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 54.1 tt0 -123.62 158.26 31.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.474 ' N ' ' HG2' ' A' ' 54' ' ' GLN . 9.9 tpp180 -93.85 156.64 16.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 55' ' ' ARG . 94.7 t -95.66 -37.38 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -51.1 -58.38 6.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.8 123.43 27.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.846 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 61' ' ' GLU . . . -45.53 -49.6 13.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.07 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.03 74.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 59' ' ' ALA . 7.1 mt-10 -169.18 161.51 10.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.645 ' CE1' HD11 ' A' ' 23' ' ' LEU . 44.7 m-85 -159.01 175.57 13.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.864 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 53' ' ' ARG . . . -154.66 161.7 41.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.082 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 36.4 mt -128.14 100.22 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.477 ' HB3' HD11 ' A' ' 51' ' ' LEU . 11.3 t -96.57 129.19 44.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.869 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.481 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -135.64 142.6 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.131 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.413 ' N ' HG12 ' A' ' 66' ' ' ILE . 12.9 tptm -89.27 121.64 31.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -163.85 139.51 6.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 71' ' ' GLU . 2.2 t-20 67.46 54.97 0.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.796 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.9 OUTLIER 40.06 25.53 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.167 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' ASN . 29.3 mm-40 -151.14 132.77 14.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.696 HG21 ' HA ' ' A' ' 39' ' ' GLU . 93.7 t -86.24 114.4 25.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.543 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 4.7 mmmt -94.89 170.86 9.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.626 ' CE1' ' CD ' ' A' ' 35' ' ' ARG . 2.0 m-70 -151.35 143.92 24.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.481 HG12 ' CE2' ' A' ' 111' ' ' PHE . 5.3 mp -125.63 129.97 72.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.437 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 2.2 ttpm? -81.61 150.08 28.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.437 ' N ' ' HG2' ' A' ' 76' ' ' LYS . 89.8 mt -121.08 135.89 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.167 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 60.5 mtm -106.05 154.14 21.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.469 HG22 ' O ' ' A' ' 83' ' ' LEU . 54.6 p -147.54 150.92 35.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.114 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.76 -73.97 0.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.091 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -111.93 12.63 20.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 125.15 11.78 4.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.458 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 83' ' ' LEU . 3.0 mm? -93.32 168.09 11.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.906 0.384 . . . . 0.0 110.855 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 5.0 m-85 -139.37 120.82 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -159.3 137.49 10.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.655 HD12 ' CZ ' ' A' ' 111' ' ' PHE . 28.7 pt -86.58 -25.32 6.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 21.2 p -137.49 167.68 21.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -72.21 -35.58 68.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -62.47 -55.59 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG3' ' CE1' ' A' ' 92' ' ' PHE . 12.0 tppt? -88.34 151.84 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.505 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -156.67 160.4 39.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CD2' ' HA ' ' A' ' 98' ' ' LEU . 5.3 m-85 -145.55 171.57 14.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.63 -20.99 13.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -147.7 141.83 9.6 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.497 HD23 HD21 ' A' ' 23' ' ' LEU . 48.4 tp -52.81 -43.81 66.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.409 ' OG1' ' CE1' ' A' ' 26' ' ' HIS . 19.2 m -50.69 -50.11 55.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -64.11 -44.87 90.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.574 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 8.8 tt -51.71 -29.97 20.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.777 HG13 ' CD1' ' A' ' 118' ' ' LEU . 97.4 t -92.83 -46.91 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -65.87 -5.38 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.508 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 77.8 t80 -98.58 -47.2 5.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.433 ' OH ' ' CD1' ' A' ' 86' ' ' ILE . 4.8 m-85 -51.93 -31.97 30.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.933 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.468 ' HB2' ' NE2' ' A' ' 104' ' ' GLN . 68.5 mt-30 -54.52 -21.38 9.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.875 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.541 ' NE2' ' NH2' ' A' ' 128' ' ' ARG . 0.3 OUTLIER -102.65 -34.98 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.917 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -104.77 113.8 27.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 9.6 t -55.52 131.73 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 59.3 mt -55.83 -15.07 2.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.953 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 5.5 ptmt -60.0 -16.94 34.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -63.34 -34.92 78.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . 0.433 ' O ' ' ND2' ' B' ' 11' ' ' ASN . 56.4 m -109.62 -50.28 3.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.655 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 25.3 m-85 -97.72 97.89 9.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -51.8 -26.63 10.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 5.1 t -68.8 -49.03 61.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.918 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.0 mt -80.18 104.87 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 57.2 m-20 -98.03 21.59 10.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 14.5 t -141.23 160.98 38.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.435 ' OG1' ' N ' ' A' ' 118' ' ' LEU . 0.2 OUTLIER -118.69 170.49 8.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.105 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.777 ' CD1' HG13 ' A' ' 99' ' ' VAL . 34.5 mt -47.6 108.55 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.575 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 78.5 mt-30 -90.59 -48.33 7.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.575 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 3.6 m-85 -145.44 138.65 14.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.687 0.756 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.44 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 53.9 Cg_endo -69.76 -173.03 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.631 2.221 . . . . 0.0 112.376 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.413 ' CD1' ' HG2' ' A' ' 123' ' ' LYS . 0.4 OUTLIER -70.76 -41.64 71.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.413 ' HG2' ' CD1' ' A' ' 122' ' ' PHE . 22.8 mttp -81.75 -67.34 0.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.48 ' OE2' HD22 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -175.16 150.68 1.27 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.696 0.76 . . . . 0.0 110.878 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.77 61.22 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.748 2.298 . . . . 0.0 112.35 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 128' ' ' ARG . 13.8 tt0 -100.54 68.58 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.472 ' C ' ' O ' ' A' ' 126' ' ' GLU . 13.7 ptmt 32.22 36.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.541 ' NH2' ' NE2' ' A' ' 104' ' ' GLN . 3.9 mmm180 -105.59 96.79 6.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 40.8 m -155.96 130.26 8.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.139 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 6.3 tt -174.77 148.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.131 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.4 t -121.65 130.92 53.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -123.73 147.8 47.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.8 t -123.06 136.44 54.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 157.17 -159.86 30.01 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 165.43 30.98 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.673 2.249 . . . . 0.0 112.339 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 78.0 p -174.72 170.74 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.833 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 9.5 t -149.66 163.22 38.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.827 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.444 179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -112.09 -60.07 1.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.346 . . . . 0.0 110.883 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -107.39 159.75 16.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.53 -35.75 61.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.1 -112.49 0.4 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . 0.458 ' HB3' ' HN2' ' B' ' 7' ' ' PTR . 0.7 OUTLIER -130.84 -171.23 2.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.779 0.323 . . . . 0.0 110.888 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.458 ' HN2' ' HB3' ' B' ' 6' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -71.17 157.13 38.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 96.3 p -115.22 142.05 28.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 161.74 44.76 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.645 2.23 . . . . 0.0 112.345 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 110' ' ' CYS . 17.2 m-80 -58.3 114.4 2.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -96.21 -43.17 7.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -75.28 -46.49 33.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.877 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -59.05 -61.01 2.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.4 p 44.37 42.18 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.867 0.365 . . . . 0.0 110.841 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.7 m -66.47 94.99 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.06 110.48 1.45 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.496 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 94.3 p 41.99 42.7 2.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.867 0.365 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 m -67.39 175.29 2.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.65 -82.57 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? 61.75 39.81 13.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.767 0.318 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.82 136.82 51.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -129.68 42.3 3.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -91.5 114.15 26.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.33 172.64 16.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -114.37 84.7 2.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -115.31 80.5 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.491 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 42.1 p-90 -123.36 74.8 1.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -127.26 -32.9 2.43 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.887 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' O ' ' C ' ' A' ' 18' ' ' GLY . 7.2 pt-20 -89.19 88.09 7.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 17' ' ' GLU . . . -33.86 103.32 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.477 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 170.05 17.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.698 2.266 . . . . 0.0 112.363 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -175.25 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.677 2.251 . . . . 0.0 112.35 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -46.42 159.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 24' ' ' SER . 1.0 OUTLIER -91.08 98.11 11.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.564 HD11 ' CZ ' ' A' ' 62' ' ' PHE . 19.1 mt -42.68 -23.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 22' ' ' ASP . 65.2 p -43.62 -40.49 4.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 26' ' ' HIS . 24.5 m -47.2 -43.52 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.451 ' N ' HG23 ' A' ' 25' ' ' VAL . 99.7 m-70 -62.74 156.67 23.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD1' ' HB2' ' A' ' 126' ' ' GLU . 8.9 mt -72.85 0.52 10.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.674 ' CZ3' HG21 ' A' ' 52' ' ' VAL . 14.6 p-90 -141.36 126.61 18.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -149.6 151.28 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -154.46 111.04 3.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.088 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.9 -150.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.553 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.464 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.4 Cg_endo -69.8 3.38 2.82 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.664 2.242 . . . . 0.0 112.355 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.493 ' CE ' HD12 ' A' ' 41' ' ' ILE . 4.0 ttp -33.26 140.17 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' O ' ' C ' ' A' ' 35' ' ' ARG . 15.2 pt-20 -89.2 167.7 12.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 34' ' ' GLU . 4.5 tmm_? -36.12 -68.42 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.57 -48.92 57.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.19 -31.24 6.04 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 39' ' ' GLU . . . -84.27 -52.54 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.714 0.292 . . . . 0.0 111.115 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.545 ' HA ' HG11 ' A' ' 72' ' ' VAL . 28.1 mt-10 -37.69 -55.3 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.3 t -47.45 -46.72 26.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.493 HD12 ' CE ' ' A' ' 33' ' ' MET . 25.6 mt -58.6 -58.98 4.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.117 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 67' ' ' LYS . 2.8 mt -74.54 -4.55 37.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.895 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -83.68 -61.55 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.145 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -63.05 -44.07 96.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.438 ' HD2' ' N ' ' A' ' 45' ' ' ARG . 0.2 OUTLIER -56.33 -178.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -68.33 141.16 55.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -58.16 106.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 132.37 1.85 4.24 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.47 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.564 HG22 ' N ' ' A' ' 50' ' ' PHE . 18.1 m -64.63 165.08 10.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 111.179 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' N ' HG22 ' A' ' 49' ' ' THR . 21.7 p90 -155.44 170.88 20.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 pp -169.84 175.66 5.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.683 HG11 HD21 ' A' ' 95' ' ' LEU . 2.6 t -123.2 106.0 16.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.1 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 5.9 ptt-85 -111.68 152.57 27.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.861 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HG2' ' N ' ' A' ' 55' ' ' ARG . 44.4 tt0 -97.6 160.43 14.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.465 HH21 ' CE1' ' B' ' 7' ' ' PTR . 4.0 mtt-85 -93.58 168.11 11.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.0 m -105.57 -16.32 8.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.093 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -75.23 -43.81 49.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -133.73 116.28 15.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -45.28 -61.05 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.2 74.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -167.08 124.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.564 ' CZ ' HD11 ' A' ' 23' ' ' LEU . 45.7 m-85 -110.6 172.41 6.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -156.3 145.5 20.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.109 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 98' ' ' LEU . 17.5 mt -109.76 123.23 65.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.483 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 6.4 t -117.8 117.92 30.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.492 HD13 ' O ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -128.64 137.84 56.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.158 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 42' ' ' LEU . 14.1 tptm -85.58 137.94 32.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.518 ' CD2' HD23 ' A' ' 114' ' ' LEU . 3.6 t80 -175.38 138.9 0.43 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.698 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.1 t-20 66.19 49.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.698 HG22 ' O ' ' A' ' 69' ' ' ASN . 5.8 m 47.51 26.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -151.28 135.53 16.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.545 HG11 ' HA ' ' A' ' 39' ' ' GLU . 46.6 t -92.09 118.89 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 51.0 mmtt -98.45 172.21 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.483 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 3.6 m-70 -150.95 146.41 26.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.557 HD11 HD23 ' A' ' 107' ' ' LEU . 87.0 mt -122.19 127.24 75.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -86.51 119.56 26.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 62' ' ' PHE . 35.9 mt -93.5 147.72 5.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 29.6 mtm -116.82 149.41 40.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.893 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.0 p -145.01 126.45 14.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.164 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -119.45 -72.3 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -107.48 49.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.13 29.34 66.79 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 93' ' ' ARG . 13.6 mt -121.25 147.48 45.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.795 0.331 . . . . 0.0 110.876 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 84' ' ' TYR . 0.6 OUTLIER -121.02 126.99 51.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -161.66 146.89 13.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.017 HD12 HG23 ' A' ' 87' ' ' THR . 2.6 pp -106.48 -12.89 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 1.017 HG23 HD12 ' A' ' 86' ' ' ILE . 3.0 p -144.18 168.0 21.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -78.12 -26.31 47.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 mtmp? -73.88 -54.17 8.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -93.72 142.69 27.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.908 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -150.1 140.56 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 92' ' ' PHE . 5.7 m-85 -123.23 172.0 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.895 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.403 ' HA ' HD23 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -108.82 -24.57 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.849 -179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -141.1 139.78 9.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.683 HD21 HG11 ' A' ' 52' ' ' VAL . 18.7 tp -50.18 -39.29 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.96 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.8 m -52.89 -60.78 2.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -51.94 -46.84 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.42 HD22 HD11 ' A' ' 64' ' ' ILE . 6.7 tt -49.31 -40.81 36.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.603 HG13 HD23 ' A' ' 118' ' ' LEU . 95.8 t -80.44 -51.38 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -62.56 -6.98 3.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.506 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 50.6 t80 -94.78 -50.26 5.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.402 ' C ' ' N ' ' A' ' 104' ' ' GLN . 1.4 m-85 -50.51 -46.4 57.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.897 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -44.99 -21.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.402 ' N ' ' C ' ' A' ' 102' ' ' TYR . 5.9 mt-30 -104.16 -34.79 8.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.0 OUTLIER -106.88 112.89 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.401 ' HA ' ' HB ' ' A' ' 117' ' ' THR . 4.8 t -50.29 141.49 11.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.839 HD13 ' HA ' ' A' ' 117' ' ' THR . 10.4 mp -68.87 -17.28 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 115' ' ' ASP . 20.3 pttt -60.89 -21.93 63.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -57.81 -48.24 80.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.837 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 63.4 m -95.12 -41.05 9.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.907 ' CZ ' HD13 ' A' ' 86' ' ' ILE . 10.8 m-85 -112.02 86.78 2.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.484 ' HZ2' ' H ' ' A' ' 112' ' ' LYS . 0.0 OUTLIER -47.04 -22.36 0.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 85.6 p -63.1 -49.18 75.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.615 HD12 ' HG3' ' B' ' 8' ' ' GLU . 2.6 mt -88.64 118.65 28.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.904 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.429 ' HA ' ' HB3' ' A' ' 108' ' ' LYS . 10.6 t70 -104.29 32.76 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.2 t -148.65 157.11 43.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.197 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.839 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.81 173.91 6.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.603 HD23 HG13 ' A' ' 99' ' ' VAL . 1.6 mp -54.29 103.76 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -84.81 -48.66 9.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.81 136.17 13.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.905 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.471 ' HG2' ' C ' ' A' ' 124' ' ' GLU . 54.0 Cg_endo -69.79 -163.64 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.366 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.43 ' CD2' ' HG2' ' A' ' 123' ' ' LYS . 2.0 t80 -82.47 -34.84 27.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.508 ' O ' ' CG ' ' A' ' 124' ' ' GLU . 18.2 mtpt -91.03 -67.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' A' ' 123' ' ' LYS . 31.3 mt-10 -163.33 144.73 7.47 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.65 0.738 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.449 ' HA ' ' CD ' ' A' ' 121' ' ' PRO . 53.9 Cg_endo -69.68 145.03 56.37 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.369 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.488 ' HB2' ' CD1' ' A' ' 27' ' ' LEU . 26.7 tp10 -120.49 149.93 41.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -98.28 140.74 32.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.69 105.25 15.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.3 t -116.76 -13.95 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 2.5 tp -109.16 137.45 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 83.5 p -115.0 110.38 19.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.892 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 17.8 tpp85 -162.67 148.41 12.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.0 t -142.06 123.96 15.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -123.45 70.84 0.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.518 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 165.09 32.12 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 85.9 p -159.13 167.98 27.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 10.5 t -100.53 162.18 13.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.507 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -122.7 158.59 29.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -127.39 152.79 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -68.37 -60.21 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -177.36 58.94 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -60.55 -40.43 91.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . 0.465 ' CE1' HH21 ' A' ' 55' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.615 ' HG3' HD12 ' A' ' 114' ' ' LEU . 5.6 mm-40 -63.38 143.37 57.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.874 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -111.19 138.8 21.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 0.0 110.822 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 159.5 53.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.698 2.265 . . . . 0.0 112.38 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . 0.424 ' ND2' ' H ' ' A' ' 112' ' ' LYS . 5.1 m-80 -57.51 111.12 1.01 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -97.72 -49.13 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -50.1 -45.48 52.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -58.59 125.93 25.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -169.74 177.6 4.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.888 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 t -164.51 171.68 14.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.95 -175.33 39.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.8 p -158.53 174.81 14.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.92 0.39 . . . . 0.0 110.811 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.5 p -142.01 164.2 30.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.57 117.54 0.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.4 ttpp -159.21 144.22 15.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.817 0.341 . . . . 0.0 110.876 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -159.06 148.95 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -137.66 164.6 28.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -130.02 149.08 51.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -153.96 170.87 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.17 168.8 21.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -122.16 121.44 36.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.464 ' CD2' ' O ' ' A' ' 15' ' ' TRP . 15.9 p-90 -115.52 36.32 4.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 3.0 p90 -126.08 -40.28 2.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -59.28 91.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -117.71 80.24 0.31 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 158.97 55.12 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.69 2.26 . . . . 0.0 112.382 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 -174.96 1.02 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -45.24 147.02 0.81 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.457 ' O ' HG22 ' A' ' 25' ' ' VAL . 6.7 m-20 -135.72 163.87 29.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.424 HD21 HD23 ' A' ' 95' ' ' LEU . 15.2 mt -53.18 -21.66 5.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.9 t -48.75 -33.24 9.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 22' ' ' ASP . 27.4 m -52.43 -35.05 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -74.0 153.51 39.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 ' O ' ' HB2' ' A' ' 123' ' ' LYS . 9.4 mt -67.52 -9.96 47.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.542 ' CE2' HG11 ' A' ' 99' ' ' VAL . 7.9 p-90 -128.3 125.43 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.949 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -151.14 148.12 27.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.649 ' HB3' ' O ' ' A' ' 52' ' ' VAL . . . -155.3 109.39 2.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 -151.99 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.475 ' O ' ' C ' ' A' ' 33' ' ' MET . 53.2 Cg_endo -69.8 4.35 2.26 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.67 2.247 . . . . 0.0 112.303 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.553 ' CE ' HD12 ' A' ' 41' ' ' ILE . 6.6 ttp -32.28 146.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' ARG . 9.7 pt-20 -91.51 162.58 14.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.886 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' GLU . 0.0 OUTLIER -33.79 -68.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.836 -179.876 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.31 -45.35 45.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' HA3' ' CG ' ' A' ' 33' ' ' MET . . . -51.65 -37.63 42.42 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -73.06 -43.09 62.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.318 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.674 ' HA ' HG11 ' A' ' 72' ' ' VAL . 25.8 mt-10 -56.47 -53.04 62.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 7.8 t -44.21 -47.07 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.835 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.553 HD12 ' CE ' ' A' ' 33' ' ' MET . 41.7 mt -60.93 -62.1 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.499 HD22 ' C ' ' A' ' 49' ' ' THR . 2.1 mt -73.1 2.86 6.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 39' ' ' GLU . . . -92.95 -17.99 23.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.076 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -124.69 -21.4 4.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.554 ' HG2' HG21 ' A' ' 49' ' ' THR . 1.6 tpt85 -55.14 -72.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.2 t -175.76 174.53 2.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 -82.81 97.55 8.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.87 1.62 8.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.464 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.554 HG21 ' HG2' ' A' ' 45' ' ' ARG . 14.3 m -65.16 151.3 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.829 0.347 . . . . 0.0 111.11 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.849 ' CE2' HD13 ' A' ' 118' ' ' LEU . 10.4 p90 -147.09 174.49 11.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 pp -169.28 177.13 4.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.924 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.649 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 2.6 t -123.21 107.72 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.188 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.408 ' HG3' ' HB3' ' A' ' 63' ' ' ALA . 4.1 ptm180 -108.73 142.86 38.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -83.14 160.16 21.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -96.5 149.07 22.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.7 m -86.67 -33.04 6.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.5 mmtm -55.49 -38.04 68.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.478 ' OD2' ' HB3' ' A' ' 60' ' ' ALA . 32.7 t70 -149.34 136.68 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.83 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.14 -22.88 66.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.478 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . . . -97.79 53.22 1.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.067 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.412 ' CD ' ' O ' ' A' ' 77' ' ' ILE . 5.3 mm-40 -155.87 128.31 7.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -117.56 176.09 5.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.408 ' HB3' ' HG3' ' A' ' 53' ' ' ARG . . . -152.59 150.21 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.526 HG13 HD11 ' A' ' 77' ' ' ILE . 52.9 mt -116.46 100.76 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.093 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.634 ' HG ' ' CE1' ' A' ' 74' ' ' HIS . 3.4 t -95.34 128.67 42.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.477 HD13 ' C ' ' A' ' 66' ' ' ILE . 0.0 OUTLIER -136.81 143.43 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.111 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.442 ' N ' HG12 ' A' ' 66' ' ' ILE . 11.2 tptm -89.73 120.04 30.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.411 ' HB3' ' CD1' ' A' ' 66' ' ' ILE . 2.1 t80 -161.46 134.7 6.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.456 ' O ' ' N ' ' A' ' 71' ' ' GLU . 1.8 t-20 73.0 55.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.812 ' O ' HG23 ' A' ' 70' ' ' VAL . 0.8 OUTLIER 40.64 25.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 69' ' ' ASN . 19.9 mt-10 -152.75 134.77 14.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.823 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.674 HG11 ' HA ' ' A' ' 39' ' ' GLU . 25.6 t -87.5 117.35 31.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.631 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 5.1 mmmt -96.8 171.03 8.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.634 ' CE1' ' HG ' ' A' ' 65' ' ' SER . 2.7 m-70 -151.35 144.84 24.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 16.4 mt -132.15 138.58 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.439 ' HG2' ' N ' ' A' ' 77' ' ' ILE . 22.6 ttmt -84.36 149.61 25.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.526 HD11 HG13 ' A' ' 64' ' ' ILE . 96.8 mt -117.54 131.56 69.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.122 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 44.0 mtm -92.38 169.83 10.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.2 p -149.95 119.44 6.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.2 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.489 ' O ' HD12 ' A' ' 83' ' ' LEU . . . -129.08 111.48 13.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 50.38 44.51 26.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 83.21 21.39 58.9 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.559 ' C ' ' CD1' ' A' ' 84' ' ' TYR . 29.6 mt -100.68 177.42 5.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 83' ' ' LEU . 17.7 m-85 -154.75 124.0 6.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -160.29 142.6 13.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.756 HD11 ' OH ' ' A' ' 102' ' ' TYR . 44.9 pt -97.22 -15.11 7.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.7 p -137.76 166.46 23.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' CD ' ' H ' ' A' ' 88' ' ' GLU . 1.3 pm0 -80.57 -29.52 37.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -70.76 -55.3 8.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -92.3 149.91 21.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.889 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.633 ' C ' ' CD1' ' A' ' 92' ' ' PHE . . . -148.92 163.44 37.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.633 ' CD1' ' C ' ' A' ' 91' ' ' ALA . 0.7 OUTLIER -146.58 173.26 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.0 tpt85 -93.45 -46.46 7.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . 0.458 ' HA2' ' CD1' ' A' ' 84' ' ' TYR . . . -128.39 160.18 22.05 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.46 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.458 HD21 HG11 ' A' ' 52' ' ' VAL . 24.2 tp -60.83 -34.66 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.4 m -54.76 -70.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.145 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 101' ' ' PHE . 12.6 mm-40 -44.94 -49.29 11.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.553 ' HA ' ' CD2' ' A' ' 92' ' ' PHE . 9.0 tt -47.45 -35.94 9.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.936 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.542 HG11 ' CE2' ' A' ' 28' ' ' TRP . 84.2 t -90.17 -57.22 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -59.12 -10.26 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.517 ' O ' ' ND2' ' A' ' 105' ' ' ASN . 92.3 t80 -95.36 -47.17 6.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.756 ' OH ' HD11 ' A' ' 86' ' ' ILE . 2.2 m-85 -56.44 -27.09 55.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.724 ' HG2' HD12 ' A' ' 118' ' ' LEU . 4.3 mt-30 -63.48 -7.75 7.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -115.94 -33.36 5.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 101' ' ' PHE . 0.1 OUTLIER -105.78 113.66 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.8 t -51.76 133.25 31.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.832 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 117' ' ' THR . 9.3 mp -70.56 -8.32 50.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.947 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -60.63 -16.72 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -70.8 -33.59 70.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.892 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' CYS . . . . . . . . . . . . . 73.6 m -102.93 -50.81 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.723 ' HE2' HD12 ' A' ' 86' ' ' ILE . 97.5 m-85 -106.14 98.61 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.451 ' HG2' ' N ' ' A' ' 113' ' ' SER . 0.0 OUTLIER -48.8 -28.04 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.451 ' N ' ' HG2' ' A' ' 112' ' ' LYS . 43.6 t -67.48 -48.5 66.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.431 ' CD2' ' HE3' ' A' ' 73' ' ' LYS . 3.8 mm? -80.18 86.44 5.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 32.87 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.0 t -153.05 164.63 37.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.14 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.416 ' HA ' HD13 ' A' ' 107' ' ' LEU . 0.2 OUTLIER -119.71 161.05 21.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.849 HD13 ' CE2' ' A' ' 50' ' ' PHE . 30.9 mt -42.99 112.44 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.899 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.553 ' O ' ' CD1' ' A' ' 120' ' ' PHE . 20.3 mt-30 -89.38 -53.68 4.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 119' ' ' GLN . 5.3 m-85 -144.54 135.69 12.5 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.661 0.743 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -168.23 0.26 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.707 2.271 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.516 ' CD1' ' C ' ' A' ' 122' ' ' PHE . 0.8 OUTLIER -79.95 -46.08 17.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -61.02 -66.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.408 ' OE1' ' O ' ' A' ' 125' ' ' PRO . 0.4 OUTLIER -176.13 154.79 1.43 Allowed Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.615 0.722 . . . . 0.0 110.894 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.435 ' HB3' ' CD1' ' A' ' 120' ' ' PHE . 53.8 Cg_endo -69.81 112.84 3.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.36 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -168.16 114.34 0.68 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.411 ' C ' ' HD2' ' A' ' 127' ' ' LYS . 0.1 OUTLIER -126.23 137.79 53.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -138.88 120.95 15.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 129' ' ' THR . 3.6 t -66.85 105.6 1.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.121 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 8.1 tt -174.28 141.69 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.114 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 67.2 m -157.37 121.38 4.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.23 179.8 3.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 44.9 t -106.8 139.32 41.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.832 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.13 94.27 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -173.78 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.725 2.283 . . . . 0.0 112.28 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 12.8 t -155.48 161.42 40.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.868 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 48.3 p -166.89 145.95 5.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.154 -0.804 . . . . 0.0 112.489 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -93.83 86.39 5.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.858 0.361 . . . . 0.0 110.852 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -101.82 130.63 48.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -126.5 124.78 40.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.1 86.35 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.535 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -80.11 -37.44 33.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' PTR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' GLU . . . . . 0.422 ' CD ' HD21 ' A' ' 114' ' ' LEU . 32.5 mt-10 -58.89 161.93 4.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 2.9 m -111.54 130.61 22.93 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.638 0.732 . . . . 0.0 110.869 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 150.98 69.06 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.262 . . . . 0.0 112.355 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -57.59 118.76 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -90.74 -61.55 1.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' B' ' 14' ' ' GLU . 8.3 pt-20 -50.53 -39.29 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLU . . . . . 0.4 ' N ' ' HG3' ' B' ' 13' ' ' GLU . 0.6 OUTLIER -85.84 106.77 17.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 -179.892 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.936 . . . . . . . . 0 0 . 1 stop_ save_